SCHEMBL21765978

SCHEMBL21765978

CSc1cc(F)cc([C@H]2C[C@H](F)CN2c2ccc3ncc(C(=O)N[C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.44
USP30 Q70CQ3 8/20 0.40

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
SCHEMBL21765943 1.00 NTRK1 (0.44) NTRK1USP30
SCHEMBL30334971 1.00 NTRK1 (0.44) NTRK1USP30
SCHEMBL23761653 1.00 NTRK1 (0.44) NTRK1USP30
SCHEMBL23761805 0.97 NTRK1 (0.45) NTRK1USP30
SCHEMBL23761822 0.95 NTRK1 (0.43) NTRK1
SCHEMBL23761654 0.92 NTRK1 (0.41) NTRK1USP30
SCHEMBL30921642 0.91 NTRK1 (0.49) NTRK1USP30
SCHEMBL23761659 0.91 NTRK1 (0.49) NTRK1USP30
SCHEMBL23692444 0.91 NTRK1 (0.45) NTRK1USP30
SCHEMBL21752908 0.91 NTRK1 (0.38) 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
WO-2020039209-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-02-27 WO disclosed