SCHEMBL6598505

SCHEMBL6598505

Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NCC4CC4)cc3)n2)n1C(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.72
CDK4 P11802 7/20 0.72
KCNH2 Q12809 5/20 0.70
CDK1 P06493 2/20 0.70
CCNT1 O60563 1/20 0.70
CCNB1 P14635 1/20 0.70
CSNK2A2 P19784 1/20 0.70
CCNA2 P20248 1/20 0.70
CCND1 P24385 1/20 0.70
CCNE1 P24864 1/20 0.70
CCND3 P30281 1/20 0.70
MAPK8 P45983 1/20 0.70
MAPK9 P45984 1/20 0.70
CSNK1A1 P48729 1/20 0.70
CSNK1D P48730 1/20 0.70
GSK3A P49840 1/20 0.70
GSK3B P49841 1/20 0.70
CDK7 P50613 1/20 0.70
CDK9 P50750 1/20 0.70
CCNH P51946 1/20 0.70

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
SCHEMBL6104318 0.88 CDK2 (0.71) CDK2CDK4KCNH2CDK1CCNT1
SCHEMBL6410817 0.88 CDK2 (0.78) CDK2CDK4KCNH2CDK1CCNT1
SCHEMBL6103961 0.86 CDK2 (0.72) CDK2CDK4KCNH2CDK1CCNT1
SCHEMBL6599270 0.86 CDK2 (0.74) CDK2CDK4KCNH2CDK1CCNT1
SCHEMBL4262997 0.86 CDK2 (0.60) CDK2CDK4KCNH2CDK1CCNT1
SCHEMBL6596541 0.85 CDK2 (0.75) CDK2CDK4KCNH2CDK1CCNT1
SCHEMBL5098875 0.85 CDK2 (0.81) CDK2CDK4KCNH2CDK1CCNT1
SCHEMBL6105654 0.85 CDK2 (0.71) CDK2CDK4KCNH2CDK1CCNT1
SCHEMBL5105136 0.85 CDK2 (0.73) CDK2CDK4KCNH2CDK1CCNT1
SCHEMBL23752538 0.84 CDK2 (1.00) CDK2CDK4KCNH2CDK1CCNT1

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
CN-1269813-C Imidazolo-5-yl-2-anilino-pyrimidines as agents for inhibition of cell proliferation ASTRAZENECA AB (SE) 2006-08-16 CN disclosed
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