SCHEMBL20159429

SCHEMBL20159429

CN1N=C(c2ccc(NC(=O)N3Cc4cccnc4C3)cc2)CCC1=O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.56
NAMPT P43490 19/20 0.55

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
SCHEMBL20159440 0.83 ROCK2 (0.51) ROCK2NAMPT
SCHEMBL20159536 0.82 NAMPT (0.57) ROCK2NAMPT
SCHEMBL20159446 0.82 NAMPT (0.60) NAMPT
SCHEMBL20159225 0.82 ROCK2 (0.56) ROCK2NAMPT
SCHEMBL20142925 0.82 ROCK2 (0.56) ROCK2NAMPT
SCHEMBL20159210 0.82 ROCK2 (0.56) ROCK2NAMPT
SCHEMBL20159242 0.79 NAMPT (0.54) ROCK2NAMPT
SCHEMBL20159453 0.79 ROCK2 (0.54) ROCK2NAMPT
SCHEMBL20159151 0.79 ROCK2 (0.55) ROCK2NAMPT
SCHEMBL20159221 0.78 NAMPT (0.47) ROCK2NAMPT

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-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed