SCHEMBL17110651

SCHEMBL17110651

Cn1ccc(-c2cc(C(=O)Nc3cnc(C(C)(C)O)cc3-c3ccccc3)ccc2C(F)(F)F)n1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.73
NTRK3 Q16288 1/20 0.68

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
SCHEMBL17131187 0.84 NTRK1 (0.56) NTRK1NTRK3
SCHEMBL17111830 0.84 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17111662 0.83 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17110666 0.82 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17110625 0.81 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17110767 0.81 NTRK1 (0.78) NTRK1NTRK3
SCHEMBL17111173 0.80 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17110571 0.80 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17111197 0.80 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17111199 0.80 NTRK1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015143654-A1 TrkA KINASE INHIBITORS,COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO claimed