SCHEMBL20159440

SCHEMBL20159440

O=C(Nc1ccc(C2=NN(CC(F)(F)F)C(=O)CC2)cc1)N1Cc2cccnc2C1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.51
NAMPT P43490 19/20 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
SCHEMBL20159429 0.83 ROCK2 (0.56) ROCK2NAMPT
SCHEMBL20143671 0.83 NAMPT (0.54) ROCK2NAMPT
SCHEMBL20159206 0.83 NAMPT (0.54) ROCK2NAMPT
SCHEMBL20159205 0.83 NAMPT (0.54) ROCK2NAMPT
SCHEMBL20159536 0.77 NAMPT (0.57) ROCK2NAMPT
SCHEMBL20139005 0.75 NAMPT (0.57) ROCK2NAMPT
SCHEMBL20159518 0.74 NAMPT (0.53) ROCK2NAMPT
SCHEMBL20159169 0.73 NAMPT (0.39) ROCK2NAMPT
SCHEMBL20142926 0.71 NAMPT (0.54) ROCK2NAMPT
SCHEMBL20159432 0.71 NAMPT (0.53) ROCK2NAMPT

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