SCHEMBL20159536

SCHEMBL20159536

O=C(Nc1ccc(C2=NN(C3CCOCC3)C(=O)CC2)cc1)N1Cc2cccnc2C1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.57
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
SCHEMBL20159463 0.84 NAMPT (0.56) NAMPTROCK2
SCHEMBL20159537 0.84 NAMPT (0.56) NAMPTROCK2
SCHEMBL20159464 0.84 NAMPT (0.56) NAMPTROCK2
SCHEMBL20159429 0.82 ROCK2 (0.56) NAMPTROCK2
SCHEMBL20159249 0.77 NAMPT (0.56) NAMPT
SCHEMBL20159724 0.77 NAMPT (0.53) NAMPTROCK2
SCHEMBL20159440 0.77 ROCK2 (0.51) NAMPTROCK2
SCHEMBL20138840 0.76 NAMPT (0.55) NAMPTROCK2
SCHEMBL3704360 0.73 NAMPT (1.00) NAMPT
SCHEMBL3708532 0.73 NAMPT (1.00) 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 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