SCHEMBL14460957

SCHEMBL14460957

CCOc1cc(CCNC(=O)c2cc(Sc3cnc(Nc4ccccn4)s3)ccc2C)ccc1OC

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 17/20 0.70
▸ JAK3 P52333 1/20 0.47
▸ ITK Q08881 2/20 0.47
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14460909 0.82 NTRK1 (0.74) NTRK1ITK
SCHEMBL14460925 0.81 NTRK1 (0.73) NTRK1ITK
SCHEMBL14460935 0.81 NTRK1 (0.72) NTRK1JAK3ITKLMNASMN1; SMN2
SCHEMBL14460931 0.80 NTRK1 (0.68) NTRK1JAK3ITK
SCHEMBL5659787 0.80 NTRK1 (1.00) NTRK1ITK
SCHEMBL14460899 0.80 NTRK1 (0.87) NTRK1ITK
SCHEMBL5662543 0.79 NTRK1 (1.00) NTRK1ITK
SCHEMBL14460886 0.78 NTRK1 (0.81) NTRK1JAK3ITK
SCHEMBL14460934 0.78 NTRK1 (0.74) NTRK1JAK3ITK
SCHEMBL14460932 0.77 NTRK1 (0.76) 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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