SCHEMBL29692804

SCHEMBL29692804

Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3ncc(Cl)c(-c4ccc(C5CCNCC5)nc4)c3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.37

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
SCHEMBL22013072 1.00 NTRK1 (0.37) NTRK1
SCHEMBL22013062 0.85 NTRK1 (0.36) NTRK1
SCHEMBL22013088 0.85 NTRK1 (0.35) NTRK1
SCHEMBL29692793 0.85 CNR2 (0.40) NTRK1
SCHEMBL29692817 0.85 ALK (0.42) NTRK1
SCHEMBL22013149 0.85 CNR2 (0.40) NTRK1
SCHEMBL22013271 0.85 ALK (0.42) NTRK1
SCHEMBL22013393 0.84 NTRK1 (0.36) NTRK1
SCHEMBL22013396 0.84 NTRK1 (0.38) NTRK1
SCHEMBL22013174 0.83 MET (0.39) 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
CN-113166141-B Hexa-membered and hexa-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors 上海轶诺药业有限公司 2022-07-22 CN disclosed