SCHEMBL20138840

SCHEMBL20138840

CC1CC(=O)N(C2CCCC2)N=C1c1ccc(NC(=O)N2Cc3cccnc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.55
ROCK2 O75116 1/20 0.50

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
SCHEMBL20159724 0.96 NAMPT (0.53) NAMPTROCK2
SCHEMBL20159464 0.93 NAMPT (0.56) NAMPTROCK2
SCHEMBL20159537 0.93 NAMPT (0.56) NAMPTROCK2
SCHEMBL20159463 0.93 NAMPT (0.56) NAMPTROCK2
SCHEMBL20159225 0.87 ROCK2 (0.56) NAMPTROCK2
SCHEMBL20142925 0.87 ROCK2 (0.56) NAMPTROCK2
SCHEMBL20159210 0.87 ROCK2 (0.56) NAMPTROCK2
SCHEMBL20159746 0.85 NAMPT (0.56) NAMPTROCK2
SCHEMBL20159455 0.84 ROCK2 (0.54) NAMPTROCK2
SCHEMBL20142926 0.84 NAMPT (0.54) 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 3 patents. 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 claimed
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed