SCHEMBL5380286

SCHEMBL5380286

CCc1ccc(Nc2nc(-c3ccncc3)cc(=O)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.54
CDC7 O00311 2/20 0.54
ROCK2 O75116 2/20 0.54
MAP4K4 O95819 2/20 0.54
PIM1 P11309 2/20 0.54
PRKACA P17612 2/20 0.54
CDK2 P24941 2/20 0.54
HIPK2 Q9H2X6 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
IRAK4 Q9NWZ3 2/20 0.54
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
XBP1 P17861 1/20 0.52
ATM Q13315 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL14514019 0.87 GSK3B (0.59) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5383599 0.83 ADORA2A (0.62) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5380284 0.80 GCGR (0.44) CDC7MAPTSMN1; SMN2HTTTP53
SCHEMBL14514018 0.79 CA1 (0.54) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL3831637 0.76 MAPT (0.61) GSK3BCDC7ROCK2PIM1HIPK2
SCHEMBL5400018 0.75 NCOA1 (0.63) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL7992963 0.75 GSK3B (0.79) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL14514008 0.75 BUB1 (0.49) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5380322 0.75 PDE4B (0.58) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL27642988 0.74 GSK3B (0.57) GSK3B

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
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US claimed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed