SCHEMBL902433

SCHEMBL902433

c1ccc2c(Nc3cnccn3)nccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
EGFR P00533 1/20 0.43
KDR P35968 2/20 0.42
CDK5 Q00535 3/20 0.42
DYRK1A Q13627 3/20 0.42
CDK2 P24941 2/20 0.42
CHEK1 O14757 2/20 0.42
PRKD3 O94806 2/20 0.42
MAP4K4 O95819 2/20 0.42
PIM1 P11309 2/20 0.42
CDK8 P49336 2/20 0.42
CLK2 P49760 2/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
LIMK1 P53667 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
PLK4 O00444 1/20 0.42
PDPK1 O15530 1/20 0.42
CHEK2 O96017 1/20 0.42
CDK1 P06493 1/20 0.42

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
SCHEMBL22970835 0.85 CDK2 (0.39) KDRCDK5DYRK1ACDK2CHEK1
SCHEMBL1822483 0.81 KMT2A (0.50) FDPSEGFRKDRCDK5DYRK1A
SCHEMBL34467229 0.80 EGFR (0.56) FDPSEGFRALDH1A1CYP2A6F12
SCHEMBL6175758 0.80 EGFR (0.56) FDPSEGFRALDH1A1CYP2A6F12
SCHEMBL3800165 0.80 GSK3A (0.61) KDRCDK5DYRK1ACDK2CHEK1
SCHEMBL22970735 0.79 DYRK1A (0.47) EGFRKDRCDK5DYRK1ACDK2
SCHEMBL1704286 0.79 KDR (0.39) EGFRKDRCDK5DYRK1ACDK2
SCHEMBL27420834 0.79 SMN1; SMN2 (0.55) KDRCDK5DYRK1ACDK2CHEK1
SCHEMBL2075255 0.77 TGFBR1 (0.48) FDPSEGFRKDRCDK5DYRK1A
SCHEMBL6831390 0.76 EGFR (0.57) EGFRKDRDYRK1AMAP4K4PIM1

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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed