SCHEMBL17674248

SCHEMBL17674248

Cn1nccc1-c1cc2ccccc2n1CC(=O)NCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.55
NTRK3 Q16288 10/20 0.55

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
SCHEMBL17674264 0.90 NTRK1 (0.56) NTRK1NTRK3
SCHEMBL17674377 0.89 NTRK1 (0.67) NTRK1NTRK3
SCHEMBL17674277 0.88 NTRK1 (0.52) NTRK1NTRK3
SCHEMBL17674281 0.84 NTRK1 (0.55) NTRK1NTRK3
SCHEMBL17674320 0.83 NTRK1 (0.56) NTRK1NTRK3
SCHEMBL17674421 0.81 NTRK1 (0.51) NTRK1NTRK3
SCHEMBL17674295 0.80 NTRK1 (0.67) NTRK1NTRK3
SCHEMBL17674257 0.78 NTRK1 (0.65) NTRK1NTRK3
SCHEMBL17674418 0.78 NTRK1 (0.53) NTRK1NTRK3
SCHEMBL17674436 0.77 NTRK1 (0.65) NTRK1NTRK3

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
WO-2016054807-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-04-14 WO claimed
WO-2016054807-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-04-14 WO disclosed