SCHEMBL5386907

SCHEMBL5386907

O=c1cc(-c2ccncc2)[nH]c(Cc2ccc3ccccc3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.48
CDC7 O00311 2/20 0.43
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
PDE10A Q9Y233 3/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAPK8 P45983 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALKBH3 Q96Q83 1/20 0.37

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
SCHEMBL5376093 0.87 GSK3B (0.63) GSK3BCDC7PDE10A
SCHEMBL5386527 0.84 GSK3B (0.53) GSK3BCDC7PDE10A
SCHEMBL5386993 0.83 GSK3B (0.48) GSK3BCDC7NPC1LMNARAB9A
SCHEMBL5390690 0.82 GSK3B (0.48) GSK3BCDC7
SCHEMBL5375203 0.82 GSK3B (0.47) GSK3BCDC7
SCHEMBL5381458 0.81 CYP17A1 (0.47) GSK3BCDC7NPC1RAB9ASMN1; SMN2
SCHEMBL5376071 0.81 GSK3B (0.49) GSK3BCDC7PDE10A
SCHEMBL5390451 0.80 GSK3B (0.45) GSK3BCDC7NPC1MAPTRAB9A
SCHEMBL5380263 0.80 GSK3B (0.48) GSK3BCDC7PDE10A
SCHEMBL5386910 0.80 GSK3B (0.76) GSK3BCDC7SMN1; SMN2

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