SCHEMBL6058348

SCHEMBL6058348

COc1ccccc1CNC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.73
FYN P06241 1/20 0.65
SRC P12931 1/20 0.65

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
SCHEMBL6058061 0.92 LCK (0.71) LCKFYNSRC
SCHEMBL6057748 0.92 LCK (0.75) LCKFYNSRC
SCHEMBL6057749 0.92 LCK (0.80) LCKFYNSRC
SCHEMBL6058177 0.92 LCK (0.77) LCKFYNSRC
SCHEMBL6058226 0.91 LCK (0.68) LCKFYNSRC
SCHEMBL6058265 0.91 LCK (0.68) LCKFYNSRC
SCHEMBL6058272 0.89 LCK (0.76) LCKFYNSRC
SCHEMBL6058248 0.89 LCK (0.76) LCKFYNSRC
SCHEMBL6058311 0.89 LCK (0.78) LCKFYNSRC
SCHEMBL6057788 0.89 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 3 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