SCHEMBL14460952

SCHEMBL14460952

Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)NCC(C)(C)CO

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 19/20 0.78
▸ ITK Q08881 1/20 0.53
▸ MET P08581 1/20 0.51
▸ CDK2 P24941 1/20 0.51

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
SCHEMBL5662543 0.85 NTRK1 (1.00) NTRK1ITK
SCHEMBL14460899 0.85 NTRK1 (0.87) NTRK1ITKCDK2
SCHEMBL14460886 0.85 NTRK1 (0.81) NTRK1ITKCDK2
SCHEMBL14460900 0.84 NTRK1 (0.72) NTRK1ITKCDK2
SCHEMBL5659787 0.83 NTRK1 (1.00) NTRK1ITKCDK2
SCHEMBL5658369 0.83 NTRK1 (0.83) NTRK1ITKCDK2
SCHEMBL14460934 0.82 NTRK1 (0.74) NTRK1ITK
SCHEMBL14460880 0.82 NTRK1 (0.77) NTRK1ITKCDK2
SCHEMBL14460898 0.82 NTRK1 (0.75) NTRK1ITKCDK2
SCHEMBL14460908 0.82 NTRK1 (0.71) NTRK1ITKCDK2

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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