SCHEMBL17110767

SCHEMBL17110767

Cn1ccc(-c2cc(C(=O)Nc3cncnc3-c3ccccc3)ccc2C(F)(F)F)n1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.78
NTRK3 Q16288 1/20 0.78

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
SCHEMBL17110666 0.87 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17110578 0.86 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17111173 0.85 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL29139381 0.85 NTRK1 (0.74) NTRK1NTRK3
SCHEMBL17110648 0.84 NTRK1 (0.80) NTRK1NTRK3
SCHEMBL18779377 0.84 NTRK1 (0.88) NTRK1NTRK3
SCHEMBL17110625 0.84 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17110652 0.84 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17111604 0.84 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17110673 0.83 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 disclosed