SCHEMBL20138830

SCHEMBL20138830

CC1CC(=O)N(C)N=C1c1ccc(NC(=O)N2Cc3ccncc3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.54
NAMPT P43490 19/20 0.53

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
SCHEMBL20159435 1.00 ROCK2 (0.54) ROCK2NAMPT
SCHEMBL20139021 1.00 ROCK2 (0.54) ROCK2NAMPT
SCHEMBL20138893 0.93 NAMPT (0.52) NAMPT
SCHEMBL20159173 0.89 NAMPT (0.56) NAMPT
SCHEMBL20138894 0.89 NAMPT (0.56) NAMPT
SCHEMBL20159465 0.89 NAMPT (0.56) NAMPT
SCHEMBL20138896 0.88 NAMPT (0.54) NAMPT
SCHEMBL20159445 0.88 NAMPT (0.55) NAMPT
SCHEMBL20159581 0.88 HDAC2 (0.43) ROCK2NAMPT
SCHEMBL20159459 0.88 NAMPT (0.53) NAMPT

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
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