SCHEMBL6598496

SCHEMBL6598496

Cc1ncc(-c2ccnc(Nc3ccccc3)n2)n1CC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.55
CDK4 P11802 5/20 0.49
KDR P35968 1/20 0.46
PLK1 P53350 1/20 0.46
PTK2 Q05397 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
CCNE1 P24864 2/20 0.45
KCNH2 Q12809 2/20 0.45
GSK3B P49841 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CCND3 P30281 1/20 0.45
MAPK8 P45983 1/20 0.45

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
SCHEMBL5098405 0.86 CDK2 (0.72) CDK2CDK4KDRPLK1PTK2
SCHEMBL5104957 0.84 CDK2 (0.60) CDK2CDK4KDRPLK1PTK2
SCHEMBL5104874 0.83 CDK2 (0.63) CDK2CDK4KDRPLK1PTK2
SCHEMBL6595205 0.80 CDK2 (0.58) CDK2CDK4PTK2CCNE1KCNH2
SCHEMBL5105343 0.79 CDK2 (0.69) CDK2CDK4KDRPLK1PTK2
SCHEMBL6594510 0.79 CDK2 (0.81) CDK2CDK4CDK1
SCHEMBL6595555 0.79 CDK2 (0.57) CDK2CDK4PTK2CCNE1KCNH2
SCHEMBL5098885 0.76 CDK2 (0.78) CDK2CDK4CCNE1KCNH2GSK3B
SCHEMBL6104420 0.75 CDK2 (0.59) CDK2CDK4KDRPLK1ABL1
SCHEMBL4025419 0.75 CDK2 (0.64) CDK2CDK4KDRPLK1PTK2

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-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed