SCHEMBL21752903

SCHEMBL21752903

CSc1ccc(F)cc1[C@H]1C[C@H](F)CN1c1ccc2ncc(C(=O)N[C@H]3CCN(C(=O)O)C3)n2n1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.44

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
SCHEMBL23692353 0.91 NTRK1 (0.51) NTRK1
SCHEMBL23761803 0.91 NTRK1 (0.51) NTRK1
SCHEMBL21752815 0.90 NTRK1 (0.54) NTRK1
SCHEMBL29894575 0.89 NTRK1 (0.46) NTRK1
SCHEMBL21637234 0.89 NTRK1 (0.46) NTRK1
SCHEMBL21752908 0.86 NTRK1 (0.38) NTRK1
SCHEMBL30055958 0.86 NTRK1 (0.42) NTRK1
SCHEMBL21765947 0.86 NTRK1 (0.42) NTRK1
SCHEMBL21752912 0.86 NTRK1 (0.42) NTRK1
SCHEMBL21752828 0.85 NTRK1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3840832-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BenevolentAI Bio Limited (GB) 2021-06-30 EP disclosed
WO-2020039209-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-02-27 WO disclosed