SCHEMBL22769437

SCHEMBL22769437

C[CH]c1ccn2c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)c(-c3ccccc3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.70
NTRK3 Q16288 1/20 0.59

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
SCHEMBL17114281 0.94 NTRK1 (0.70) NTRK1NTRK3
SCHEMBL17114035 0.90 NTRK1 (0.72) NTRK1NTRK3
SCHEMBL17114026 0.89 NTRK1 (0.72) NTRK1NTRK3
SCHEMBL18776375 0.89 NTRK1 (0.72) NTRK1NTRK3
SCHEMBL17113997 0.88 NTRK1 (0.78) NTRK1NTRK3
SCHEMBL17129775 0.87 NTRK1 (0.81) NTRK1
SCHEMBL17129707 0.87 NTRK1 (0.81) NTRK1
SCHEMBL18763096 0.87 NTRK1 (0.70) NTRK1NTRK3
SCHEMBL17114216 0.87 NTRK1 (0.70) NTRK1NTRK3
SCHEMBL17129778 0.87 NTRK1 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122345-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed