SCHEMBL14460966

SCHEMBL14460966

Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)NCC1COc2ccccc2O1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 17/20 0.68
▸ ITK Q08881 2/20 0.51
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 1/20 0.46

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 0.81 NTRK1 (1.00) NTRK1ITK
SCHEMBL14460920 0.80 NTRK1 (0.74) NTRK1ITK
SCHEMBL14460886 0.80 NTRK1 (0.81) NTRK1ITK
SCHEMBL14460937 0.79 NTRK1 (0.65) NTRK1ITK
SCHEMBL14460899 0.79 NTRK1 (0.87) NTRK1ITK
SCHEMBL14460952 0.79 NTRK1 (0.78) NTRK1ITK
SCHEMBL5659787 0.79 NTRK1 (1.00) NTRK1ITK
SCHEMBL5658369 0.78 NTRK1 (0.83) NTRK1ITK
SCHEMBL14460934 0.78 NTRK1 (0.74) NTRK1ITK
SCHEMBL14460880 0.78 NTRK1 (0.77) 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
Send feedback