SCHEMBL5779316

SCHEMBL5779316

CN(Cc1ccccc1)C(=O)c1cnc(Nc2cccc(C#N)c2)nc1C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.71
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
SYK P43405 1/20 0.45
PTK2 Q05397 1/20 0.44
EGFR P00533 1/20 0.44
ITK Q08881 1/20 0.44

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
SCHEMBL5779395 0.90 CNR2 (0.69) CNR2PTK2EGFRITK
SCHEMBL5781933 0.87 CNR2 (0.69) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5077181 0.86 CNR2 (0.69) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5083384 0.86 CNR2 (0.69) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3378844 0.83 CNR2 (0.74) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5779533 0.83 CNR2 (0.55) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5780485 0.83 CNR2 (1.00) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5776710 0.83 CNR2 (0.58) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5780255 0.82 CNR2 (0.68) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5080774 0.81 CNR2 (0.56) CNR2EGFRITK

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
EP-1736470-A2 Pyrimidine derivatives as CB2 cannabinoid receptor modulators GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed