SCHEMBL4355565

SCHEMBL4355565

Cc1ncc(-c2ccnc(NC3CCN(C(=O)OCc4ccccc4)CC3)n2)n1C(C)C.Cc1ncc(-c2ccnc(NC3CCNCC3)n2)n1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.49
CDK1 P06493 7/20 0.49
MAPK8 P45983 5/20 0.47
MAPK9 P45984 4/20 0.47
JUN P05412 1/20 0.46
MAPK10 P53779 1/20 0.46
KCNH2 Q12809 2/20 0.46
CDK4 P11802 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
GRIN2B Q13224 1/20 0.45
DGAT1 O75907 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CCNA1 P78396 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
SCHEMBL4193060 0.95 CDK2 (0.53) CDK2CDK1MAPK8MAPK9JUN
SCHEMBL4518608 0.86 CDK2 (0.58) CDK2CDK1MAPK8MAPK9JUN
SCHEMBL4506749 0.82 CDK2 (0.56) CDK2CDK1MAPK8MAPK9JUN
SCHEMBL4193135 0.82 CDK2 (0.59) CDK2CDK1MAPK8MAPK9KCNH2
SCHEMBL4495223 0.82 CDK2 (0.54) CDK2CDK1MAPK8MAPK9MAPK10
SCHEMBL4200743 0.81 CDK2 (0.62) CDK2CDK1MAPK8MAPK9JUN
SCHEMBL4500118 0.80 CDK2 (0.62) CDK2CDK1MAPK8MAPK9JUN
SCHEMBL4516500 0.79 ACHE (0.55) CDK2CDK1MAPK10KCNH2CDK4
SCHEMBL4510681 0.79 CDK2 (0.61) CDK2CDK1MAPK8MAPK9JUN
SCHEMBL4509075 0.79 CDK2 (0.61) CDK2CDK1MAPK8MAPK9KCNH2

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-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO disclosed