SCHEMBL6581827

SCHEMBL6581827

CSc1ccc(CSc2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.77
MAPK13 O15264 8/20 0.72
MAPK12 P53778 8/20 0.72
MAPK11 Q15759 8/20 0.72
PRKD3 O94806 1/20 0.66
MAP4K4 O95819 1/20 0.66
LCK P06239 1/20 0.66
RET P07949 1/20 0.66
ALOX5 P09917 1/20 0.66
PRKACA P17612 1/20 0.66
RPS6KB1 P23443 1/20 0.66
MATK P42679 1/20 0.66
FRK P42685 1/20 0.66
MAPK9 P45984 1/20 0.66
GCGR P47871 1/20 0.66
CSNK1A1 P48729 1/20 0.66
CSNK1D P48730 1/20 0.66
GSK3A P49840 1/20 0.66
GSK3B P49841 1/20 0.66
CSNK1G2 P78368 1/20 0.66

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
SCHEMBL6578944 0.89 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL4474894 0.89 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL4458847 0.89 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL4558719 0.89 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL4471588 0.87 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL4464539 0.87 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL4473122 0.86 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL4467677 0.86 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4106398 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6581506 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11ALOX5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP claimed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US claimed
EP-1112265-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2001-07-04 EP claimed
WO-2000017192-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2000-03-30 WO claimed
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP disclosed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US disclosed
EP-1112265-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2001-07-04 EP disclosed
WO-2000017192-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2000-03-30 WO disclosed