SCHEMBL29633201

SCHEMBL29633201

NC(=O)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.57

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
SCHEMBL18131149 1.00 NTRK1 (0.57) NTRK1
SCHEMBL17111543 0.87 NTRK1 (0.53) NTRK1
SCHEMBL29633186 0.76 NTRK1 (0.53) NTRK1
SCHEMBL17110517 0.75 NTRK1 (1.00) NTRK1
SCHEMBL17129768 0.73 NTRK1 (0.48) NTRK1
SCHEMBL17111537 0.72 JAK2 (0.46) —
SCHEMBL24065779 0.71 NTRK1 (0.60) NTRK1
SCHEMBL22093024 0.71 DGAT1 (0.49) —
SCHEMBL31145404 0.71 DGAT1 (0.49) —
SCHEMBL25357279 0.71 SCN9A (0.41) —

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
EP-3122344-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2022-04-27 — — EP claimed
EP-3122344-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2022-04-27 — — EP disclosed
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