SCHEMBL4239392

SCHEMBL4239392

COc1cc(N2CNc3cnc(=O)[nH]c32)ccc1-n1cnc2c(C(N)=O)nc(Nc3cccc(O)c3)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.34
XDH P47989 1/20 0.32
MAPK8 P45983 2/20 0.32
MAPK10 P53779 2/20 0.32
MAPK9 P45984 1/20 0.32
PLK1 P53350 3/20 0.32
FLT3 P36888 2/20 0.32
KDR P35968 1/20 0.32
CHKA P35790 1/20 0.32
CDK2 P24941 2/20 0.32
CHEK1 O14757 1/20 0.32
PAK4 O96013 1/20 0.32
CSNK2A2 P19784 1/20 0.32
MAPK1 P28482 1/20 0.32
AKT1 P31749 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
MAP2K1 Q02750 1/20 0.32
PKMYT1 Q99640 1/20 0.32
EGFR P00533 2/20 0.31

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
SCHEMBL301187 0.78 MAPK8 (0.41) SLC2A1MAPK8MAPK9PLK1CDK2
SCHEMBL27775430 0.73 XDH (0.50) XDHMAPK8PLK1CHKACDK2
SCHEMBL300795 0.65 KDM4E (0.59) CSNK2A2MAPK1CSNK2BCSNK2A1
SCHEMBL28142469 0.64 SYK (0.39) KDRCDK2EGFRFGFR1PDGFRA
SCHEMBL300845 0.63 THRB (0.49) CHKAMAPK1
SCHEMBL27776131 0.62 CSNK2A1 (0.60) CSNK2A2MAPK1CSNK2BCSNK2A1
SCHEMBL1748994 0.62 HSD17B10 (0.48) MAPK8MAPK9PLK1FLT3KDR
SCHEMBL15206286 0.58 GSK3B (0.48) PLK1KDRMAPK1EGFRABL1
SCHEMBL27796479 0.57 XDH (0.53) XDHCHKAMAPK1CSNK2A1SRC
SCHEMBL27784932 0.57 SYK (0.42) MAPK8MAPK9PLK1FLT3KDR

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
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP claimed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO claimed