SCHEMBL14460943

SCHEMBL14460943

Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N(CCO)CCO

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 19/20 0.73
▸ CDK2 P24941 1/20 0.57
▸ ITK Q08881 2/20 0.56

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
SCHEMBL14460986 0.93 NTRK1 (0.72) NTRK1CDK2ITK
SCHEMBL14460984 0.91 NTRK1 (0.75) NTRK1CDK2ITK
SCHEMBL14460918 0.91 NTRK1 (0.70) NTRK1CDK2ITK
SCHEMBL14460979 0.90 NTRK1 (0.69) NTRK1CDK2ITK
SCHEMBL14460906 0.90 NTRK1 (0.68) NTRK1CDK2ITK
SCHEMBL14460942 0.90 NTRK1 (0.75) NTRK1CDK2ITK
SCHEMBL14460924 0.89 NTRK1 (0.67) NTRK1CDK2ITK
SCHEMBL14460982 0.88 NTRK1 (0.79) NTRK1CDK2ITK
SCHEMBL14460905 0.87 NTRK1 (0.66) NTRK1CDK2ITK
SCHEMBL14460976 0.86 NTRK1 (0.68) NTRK1CDK2ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241781-B2 2-(pyridinylamino)thiazolylthio(optional methyl)-benzamides or -benzenealkanamides; may also contain antiinflammatory agents, antiproliferative agents, anticancer agents or anticytotoxic agents. BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-10 — — US disclosed
US-7241781-B2 2-(pyridinylamino)thiazolylthio(optional methyl)-benzamides or -benzenealkanamides; may also contain antiinflammatory agents, antiproliferative agents, anticancer agents or anticytotoxic agents. BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-10 — — US disclosed
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