SCHEMBL6652104

SCHEMBL6652104

O=C1NCCNc2c1sc1ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.58
MAPKAPK2 P49137 6/20 0.58
PRKD1 Q15139 5/20 0.41
PRKD3 O94806 2/20 0.41
PRKD2 Q9BZL6 1/20 0.41
GPR3 P46089 1/20 0.39
CHEK1 O14757 2/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38
FLT1 P17948 1/20 0.38
LTK P29376 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1393376 0.78 CDK1 (0.50) CDK1MAPKAPK2PRKD1PRKD3PRKD2
SCHEMBL6313340 0.78 MAPKAPK2 (0.64) CDK1MAPKAPK2PRKD1PRKD3PRKD2
SCHEMBL15472007 0.78 MAPKAPK2 (0.68) CDK1MAPKAPK2PRKD1PRKD3PRKD2
SCHEMBL21152485 0.75 MAP3K9 (0.48) CDK1MAPKAPK2PRKD1PRKD3GPR3
SCHEMBL6650273 0.74 PRKD1 (0.38) CDK1MAPKAPK2PRKD1PRKD3PRKD2
SCHEMBL6317783 0.74 MAPKAPK2 (1.00) CDK1MAPKAPK2PRKD1ALDH1A1KDM4E
SCHEMBL6312376 0.73 CDK1 (0.59) CDK1MAPKAPK2PRKD1PRKD3PRKD2
SCHEMBL20500929 0.72 MAPKAPK2 (0.67) CDK1MAPKAPK2PIM1CDK5PRKAA1
SCHEMBL17101654 0.71 GPR3 (0.41) CDK1PRKD1PRKD3GPR3ABL1
SCHEMBL6653253 0.71 CDK1 (0.44) CDK1MAPKAPK2PRKD3CHEK1AURKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817635-B1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER LAMBERT CO (US) 2004-06-16 EP claimed
EP-0749434-B1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER LAMBERT CO (US) 1999-12-15 EP claimed
EP-0817635-A1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER-LAMBERT COMPANY LLC (US) 1998-01-14 EP claimed
US-5703069-A USING (THIA, OXA, OR DI)AZEPINONE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-12-30 US claimed
US-5612330-A HERPES VIRUS WARNER-LAMBERT COMPANY (US) 1997-03-18 US claimed
EP-0749434-A1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER-LAMBERT COMPANY (US) 1996-12-27 EP claimed
US-5565446-A USEFUL IN TREATMENT OF INFLAMMATORY DISEASES WARNER-LAMBERT COMPANY (US) 1996-10-15 US claimed
WO-1996029077-A1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER-LAMBERT COMPANY (US) 1996-09-26 WO claimed
US-5489586-A BENZOTHIOPHEN, BENZOFURAN AND INDOLE-THIAZEPINONES, OXAZEPINONES AND DIAZEPINONES WARNER-LAMBERT COMPANY (US) 1996-02-06 US claimed
WO-1995024408-A1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER-LAMBERT COMPANY (US) 1995-09-14 WO claimed
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 US disclosed
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 US disclosed
EP-0817635-B1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER LAMBERT CO (US) 2004-06-16 EP disclosed
EP-0749434-B1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER LAMBERT CO (US) 1999-12-15 EP disclosed
EP-0817635-A1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER-LAMBERT COMPANY LLC (US) 1998-01-14 EP disclosed
EP-0749434-A1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER-LAMBERT COMPANY (US) 1996-12-27 EP disclosed
US-5565446-A USEFUL IN TREATMENT OF INFLAMMATORY DISEASES WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
WO-1996029077-A1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER-LAMBERT COMPANY (US) 1996-09-26 WO disclosed
US-5489586-A BENZOTHIOPHEN, BENZOFURAN AND INDOLE-THIAZEPINONES, OXAZEPINONES AND DIAZEPINONES WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
WO-1995024408-A1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER-LAMBERT COMPANY (US) 1995-09-14 WO disclosed