SCHEMBL4201679

SCHEMBL4201679

Cc1ncc(-c2ccnc(NC3CCN(C(=O)OC(C)(C)C)C3)n2)n1C(C)C.Cc1ncc(-c2ccnc(NC3CCNC3)n2)n1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.53
CDK1 P06493 6/20 0.53
KCNH2 Q12809 4/20 0.46
USP30 Q70CQ3 2/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND3 P30281 1/20 0.40
CDK6 Q00534 1/20 0.40
IDH1 O75874 1/20 0.40
JUN P05412 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL4504492 0.88 CDK2 (0.54) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4196303 0.84 CDK2 (0.54) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4352357 0.83 CDK2 (0.51) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4203382 0.82 CDK2 (0.53) CDK2CDK1KCNH2JUNMAPK8
SCHEMBL4505228 0.81 CDK2 (0.65) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4504747 0.81 CDK2 (0.65) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4516815 0.80 CDK2 (0.65) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4193323 0.79 CDK2 (0.53) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4196604 0.79 CDK2 (0.53) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4193135 0.78 CDK2 (0.59) CDK2CDK1KCNH2CDK4CCND1

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