SCHEMBL4193071

SCHEMBL4193071

C=C(I)S(=O)(=O)N1CCC(Nc2nccc(-c3cnc(C)n3C(C)C)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.52
CDK1 P06493 6/20 0.52
KCNH2 Q12809 7/20 0.51
CDK4 P11802 3/20 0.50
CCNT1 O60563 1/20 0.50
CCNB1 P14635 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CCNA2 P20248 1/20 0.50
CCND1 P24385 1/20 0.50
CCNE1 P24864 1/20 0.50
CCND3 P30281 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
CCNH P51946 1/20 0.50

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
SCHEMBL4509148 0.87 IKBKB (0.58) CDK2CDK1KCNH2CDK4CCNT1
SCHEMBL4504958 0.87 KCNH2 (0.65) CDK2CDK1KCNH2CDK4CCNT1
SCHEMBL4496420 0.85 KCNH2 (0.52) CDK2CDK1KCNH2CDK4CCNT1
SCHEMBL4515012 0.84 KCNH2 (0.53) CDK2CDK1KCNH2CDK4CCNT1
SCHEMBL4510051 0.83 KCNH2 (0.61) CDK2CDK1KCNH2CDK4CCNT1
SCHEMBL4494683 0.83 KCNH2 (0.54) CDK2CDK1KCNH2CDK4CCNT1
SCHEMBL4502015 0.82 CDK2 (0.54) CDK2CDK1KCNH2CDK4CCNT1
SCHEMBL4205173 0.82 CDK2 (0.55) CDK2CDK1KCNH2CDK4CCNT1
SCHEMBL4517599 0.82 CDK2 (0.56) CDK2CDK1KCNH2CDK4CCNT1
SCHEMBL4504031 0.82 CDK2 (0.66) CDK2CDK1KCNH2CDK4CCNT1

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