SCHEMBL6606903

SCHEMBL6606903

Cc1nc(CC(C)C)[nH]c1-c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.52
CDK4 P11802 4/20 0.52
CCNE1 P24864 1/20 0.46
KDR P35968 1/20 0.45
PLK1 P53350 1/20 0.45
PTK2 Q05397 1/20 0.45
PRKCD Q05655 2/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
PRKCA P17252 1/20 0.44
CDK1 P06493 3/20 0.43
CCNB2 O95067 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
EIF2AK2 P19525 4/20 0.43
CDC7 O00311 2/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
CAMK2D Q13557 2/20 0.42
AURKA O14965 2/20 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
SCHEMBL6606511 0.86 CDK2 (0.47) CDK2CDK4CCNE1KDRPLK1
SCHEMBL6604144 0.82 CDK2 (0.55) CDK2CDK4CCNE1KDRPLK1
SCHEMBL6603898 0.82 CDK2 (0.50) CDK2CDK4CCNE1KDRPLK1
SCHEMBL6621511 0.72 CDK2 (0.52) CDK2CDK4CCNE1KDRPLK1
SCHEMBL6605419 0.72 PRKCD (0.47) CDK2CDK4CCNE1KDRPLK1
SCHEMBL5108570 0.70 KDR (0.50) CDK2CDK4CCNE1KDRPLK1
SCHEMBL6604495 0.69 PRKCD (0.49) CDK2CDK4CCNE1KDRPLK1
SCHEMBL5785116 0.69 PRKCD (0.46) CDK2CDK4CCNE1KDRPLK1
SCHEMBL6634935 0.69 PRKCD (0.44) CDK2CDK4CCNE1KDRPLK1
SCHEMBL6634930 0.69 CDK2 (0.46) CDK2CDK4CCNE1KDRPLK1

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-1490354-A1 4-IMIDAZOLYL SUBSTITUTED PYRIMIDINE DERIVATIVES WITH CDK INHIBITORY ACTIVITY Astrazeneca AB (SE) 2004-12-29 EP disclosed
WO-2003076434-A1 4- IMIDAZOLYL SUBSTUITED PYRIMIDINE DERIVATIVES WITH CDK INHIBITIORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 WO disclosed