SCHEMBL6057641

SCHEMBL6057641

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)CCc3ccc4c(c3)OCO4)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.65
FYN P06241 1/20 0.58
SRC P12931 1/20 0.58
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL6057725 0.94 LCK (0.59) LCKKDM4ENPC1ALDH1A1HPGD
SCHEMBL6058087 0.92 LCK (0.72) LCKFYNSRCKDM4ENPC1
SCHEMBL6057946 0.88 KDM4E (0.61) LCKKDM4ENPC1ALDH1A1HPGD
SCHEMBL6058324 0.86 LCK (0.62) LCKKDM4ENPC1ALDH1A1HPGD
SCHEMBL6057893 0.86 LCK (0.75) LCKFYNSRC
SCHEMBL6058161 0.84 LCK (0.73) LCKFYNSRCKDM4ENPC1
SCHEMBL6057953 0.83 LCK (0.66) LCKFYNSRC
SCHEMBL6058188 0.82 LCK (0.75) LCKFYNSRC
SCHEMBL6058122 0.81 LCK (0.74) LCKFYNSRC
SCHEMBL6058250 0.80 LCK (0.73) LCKFYNSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037632-B1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-01-11 EP claimed
US-6825355-B2 FOR THERAPY OF IMMUNOLOGIC DISORDERS SUCH AS TRANSPLANT REJECTION, RHEUMATOID ARTHRITIS. MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE, LUPUS, GRAFT VS. HOST DISEASE BRISTOL-MYERS SQUIBB CO. 2004-11-30 US claimed
US-6825355-B2 FOR THERAPY OF IMMUNOLOGIC DISORDERS SUCH AS TRANSPLANT REJECTION, RHEUMATOID ARTHRITIS. MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE, LUPUS, GRAFT VS. HOST DISEASE BRISTOL-MYERS SQUIBB CO. 2004-11-30 US disclosed
EP-1037632-A4 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-08-21 EP disclosed
EP-1037632-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-27 EP disclosed
WO-1999024035-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 WO disclosed