SCHEMBL20159221

SCHEMBL20159221

CN1N=C(c2ccc(NC(=O)N3CCc4cccnc4C3)cc2)CC(C)(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.47
ROCK2 O75116 1/20 0.45

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
SCHEMBL20159462 0.84 TP53 (0.41) ROCK2
SCHEMBL20159441 0.83 NAMPT (0.52) NAMPT
SCHEMBL20159469 0.83 NAMPT (0.52) NAMPT
SCHEMBL20159518 0.81 NAMPT (0.53) NAMPTROCK2
SCHEMBL20139005 0.80 NAMPT (0.57) NAMPTROCK2
SCHEMBL20138871 0.80 NAMPT (0.52) NAMPTROCK2
SCHEMBL20159429 0.78 ROCK2 (0.56) NAMPTROCK2
SCHEMBL20159456 0.77 ROCK2 (0.47) NAMPTROCK2
SCHEMBL20159409 0.77 NAMPT (0.53) NAMPTROCK2
SCHEMBL20159251 0.76 NAMPT (0.39) NAMPTROCK2

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