SCHEMBL14460931

SCHEMBL14460931

COc1cccc(CNC(=O)c2cc(Sc3cnc(Nc4ccccn4)s3)ccc2C)c1OC

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 18/20 0.68
▸ JAK3 P52333 1/20 0.49
▸ ITK Q08881 2/20 0.49

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
SCHEMBL14460973 0.86 NTRK1 (0.70) NTRK1JAK3ITK
SCHEMBL14460929 0.85 NTRK1 (0.72) NTRK1JAK3ITK
SCHEMBL14460935 0.84 NTRK1 (0.72) NTRK1JAK3ITK
SCHEMBL14460958 0.84 NTRK1 (0.73) NTRK1JAK3ITK
SCHEMBL14460934 0.81 NTRK1 (0.74) NTRK1JAK3ITK
SCHEMBL5662543 0.81 NTRK1 (1.00) NTRK1ITK
SCHEMBL14460886 0.80 NTRK1 (0.81) NTRK1JAK3ITK
SCHEMBL14460957 0.80 NTRK1 (0.70) NTRK1JAK3ITK
SCHEMBL14460908 0.79 NTRK1 (0.71) NTRK1ITK
SCHEMBL14460899 0.79 NTRK1 (0.87) NTRK1ITK

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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