SCHEMBL4024196

SCHEMBL4024196

COCc1ncc(-c2ccnc(Nc3ccccc3)n2)n1C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.54
MAPK9 P45984 1/20 0.46
CDK4 P11802 6/20 0.45
CCND1 P24385 6/20 0.45
CCND2 P30279 3/20 0.45
CCND3 P30281 3/20 0.45
CCNA2 P20248 2/20 0.45
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
GSK3B P49841 2/20 0.43
JAK3 P52333 1/20 0.43
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
CAMKK1 Q8N5S9 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41

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
SCHEMBL4023119 0.98 CDK2 (0.52) CDK2MAPK9CDK4CCND1CCND2
SCHEMBL4193367 0.85 CDK2 (0.71) CDK2MAPK9CDK4CCND1CCND2
SCHEMBL4030132 0.83 CDK2 (0.68) CDK2MAPK9CDK4CCND1CCND2
SCHEMBL6596354 0.82 CDK2 (0.53) CDK2CDK4GSK3BABL1EGFR
SCHEMBL4025419 0.80 CDK2 (0.64) CDK2MAPK9CDK4CCND1CCND3
SCHEMBL5109492 0.79 CDK2 (0.72) CDK2MAPK9CDK4CCND1CCND3
SCHEMBL5095575 0.78 CDK2 (0.50) CDK2CDK4CCND1CCND2CCND3
SCHEMBL6593493 0.72 KDR (0.53) CDK2CDK4FGFR1FGFR3PIK3C3
SCHEMBL4476449 0.70 ABL1 (0.45) CDK2CDK4CCND3PIK3C3GSK3B
SCHEMBL5108570 0.70 KDR (0.50) CDK2MAPK9CDK4CCND1CCND2

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
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed