SCHEMBL17110668

SCHEMBL17110668

Cc1nc(CO[Si](C)(C)CC(C)C)c(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c(-c2ccccc2)n1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.75

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
SCHEMBL18762405 0.89 NTRK1 (0.78) NTRK1
SCHEMBL17110590 0.86 NTRK1 (1.00) NTRK1
SCHEMBL17110559 0.82 NTRK1 (0.87) NTRK1
SCHEMBL17110592 0.82 NTRK1 (1.00) NTRK1
SCHEMBL17110666 0.76 NTRK1 (1.00) NTRK1
SCHEMBL17111172 0.74 NTRK1 (1.00) NTRK1
SCHEMBL17111162 0.74 NTRK1 (1.00) NTRK1
SCHEMBL17111192 0.73 NTRK1 (0.75) NTRK1
SCHEMBL17114037 0.73 NTRK1 (0.75) NTRK1
SCHEMBL17114034 0.73 NTRK1 (0.74) NTRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122346-A2 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2017-02-01 EP disclosed
WO-2015148344-A2 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
WO-2015143654-A1 TrkA KINASE INHIBITORS,COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed