SCHEMBL20159147

SCHEMBL20159147

CC1CC(=O)N(C)N=C1c1ccc(NC(=O)N2Cc3ccc(N)nc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.39
ROCK2 O75116 3/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL20159540 0.88 NAMPT (0.38) NAMPTROCK2
SCHEMBL20142989 0.88 NAMPT (0.38) NAMPTROCK2
SCHEMBL20159742 0.88 NAMPT (0.36) NAMPTROCK2PDE3BPDE3A
SCHEMBL20138884 0.88 NAMPT (0.38) NAMPTROCK2
SCHEMBL20159237 0.88 PDE4A (0.45) NAMPTROCK2TAS1R3TAS1R1TAS1R2
SCHEMBL20159128 0.87 NAMPT (0.38) NAMPTROCK2
SCHEMBL20159164 0.86 NAMPT (0.42) NAMPTROCK2
SCHEMBL20159436 0.86 HDAC1 (0.37) NAMPT
SCHEMBL20159210 0.84 ROCK2 (0.56) NAMPTROCK2
SCHEMBL20159225 0.84 ROCK2 (0.56) 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