SCHEMBL4193367

SCHEMBL4193367

Cc1ncc(-c2ccnc(Nc3ccccc3)n2)n1C1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.71
CDK4 P11802 6/20 0.50
CCND1 P24385 4/20 0.50
CCND2 P30279 3/20 0.50
CCND3 P30281 3/20 0.50
CCNA2 P20248 2/20 0.50
FGFR1 P11362 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR4 P22455 1/20 0.50
FGFR3 P22607 1/20 0.50
KCNH2 Q12809 1/20 0.48
JAK3 P52333 1/20 0.47
KDR P35968 1/20 0.47
PLK1 P53350 1/20 0.47
PTK2 Q05397 1/20 0.47
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47

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
SCHEMBL4030132 0.98 CDK2 (0.68) CDK2CDK4CCND1CCND2CCND3
SCHEMBL4025419 0.95 CDK2 (0.64) CDK2CDK4CCND1CCND3CCNA2
SCHEMBL4024196 0.85 CDK2 (0.54) CDK2CDK4CCND1CCND2CCND3
SCHEMBL4023119 0.83 CDK2 (0.52) CDK2CDK4CCND1CCND2CCND3
SCHEMBL4028905 0.82 CDK2 (0.65) CDK2CDK4CCND1CCND3CCNA2
SCHEMBL3549674 0.81 CDK2 (0.69) CDK2CDK4CCND1CCND2CCND3
SCHEMBL5105343 0.80 CDK2 (0.69) CDK2CDK4CCND1CCND3CCNA2
SCHEMBL1447876 0.80 CDK2 (0.73) CDK2KCNH2
SCHEMBL23752490 0.78 CDK2 (0.66) CDK2CDK4CCND1CCND3CCNA2
SCHEMBL3547575 0.78 KCNH2 (0.73) CDK2CDK4CCND1CCND2CCND3

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