SCHEMBL27723922

SCHEMBL27723922

Nc1n[nH]c2nccc(-c3cc[c]cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.41
KDR P35968 13/20 0.39
KIT P10721 5/20 0.39
FLT3 P36888 4/20 0.39
LRRK2 Q5S007 4/20 0.37
ROCK1 Q13464 4/20 0.37
LCK P06239 3/20 0.37
CSF1R P07333 3/20 0.37
FGFR1 P11362 3/20 0.37
PRKACA P17612 3/20 0.37
AURKA O14965 3/20 0.37
RPS6KB1 P23443 3/20 0.37
CDK2 P24941 3/20 0.37
AURKB Q96GD4 3/20 0.37
PLK4 O00444 2/20 0.37
JAK2 O60674 2/20 0.37
CDK1 P06493 2/20 0.37
LYN P07948 2/20 0.37
SRC P12931 2/20 0.37
MARK3 P27448 2/20 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
SCHEMBL11498709 0.84 GSK3B (0.58) GSK3BKDRKITFLT3LRRK2
SCHEMBL2235173 0.84 KDR (0.55) GSK3BKDRKITFLT3LRRK2
SCHEMBL6116348 0.76 BTK (0.53) GSK3B
SCHEMBL23780027 0.73 KDR (0.71) GSK3BKDRKITFLT3LRRK2
SCHEMBL18613518 0.72 FYN (0.48) KDRKITLRRK2STK3
SCHEMBL5265515 0.71 KDR (0.39) GSK3BKDRKITFLT3LRRK2
SCHEMBL1703315 0.71 KDR (0.70) GSK3BKDRKITFLT3ROCK1
SCHEMBL28813094 0.69 GAA (0.50) GSK3BKDRFLT3LRRK2ROCK1
SCHEMBL16680727 0.69 NOS2 (0.45) GSK3BKDRROCK1PRKACAAURKA
SCHEMBL1585572 0.69 PRKCI (0.40) GSK3BKDRROCK1LCKCSF1R

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
CN-101146534-A Substituted pyrazolopyridines, compositions containing them, method for the production thereof, and their use AVENTIS PHARMA SA (FR) 2008-03-19 CN disclosed