SCHEMBL469768

SCHEMBL469768

CCOC(=O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(N)cc(F)c3)nn12

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.39
TGFBR1 P36897 1/20 0.34

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
SCHEMBL23692394 0.90 NTRK1 (0.39) NTRK1TGFBR1
SCHEMBL21625418 0.89 NTRK1 (0.38) NTRK1TGFBR1
SCHEMBL30100803 0.89 NTRK1 (0.38) NTRK1TGFBR1
SCHEMBL30100804 0.89 NTRK1 (0.38) NTRK1TGFBR1
SCHEMBL431754 0.88 NTRK1 (0.47) NTRK1
SCHEMBL464572 0.88 NTRK1 (0.47) NTRK1
SCHEMBL464567 0.88 NTRK1 (0.47) NTRK1
SCHEMBL431616 0.88 NTRK1 (0.47) NTRK1
SCHEMBL433722 0.88 NTRK1 (0.40) NTRK1
SCHEMBL431961 0.86 NTRK1 (0.42) 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-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed