SCHEMBL6593019

SCHEMBL6593019

Cc1nc(C)n(C)c1-c1ccnc(Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.68
JAK2 O60674 2/20 0.49
BRD4 O60885 2/20 0.49
FLT3 P36888 2/20 0.49
CDK4 P11802 5/20 0.49
GSK3B P49841 2/20 0.45
CCNE1 P24864 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CCND3 P30281 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
GSK3A P49840 1/20 0.45
CDK7 P50613 1/20 0.45

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
SCHEMBL6596039 0.88 CDK2 (0.72) CDK2CDK4GSK3BCCNE1CCNT1
SCHEMBL6593928 0.85 CDK2 (0.69) CDK2JAK2CDK4GSK3BCCNT1
SCHEMBL6598042 0.84 CDK2 (0.66) CDK2BRD4CDK4GSK3BCCNE1
SCHEMBL5096310 0.83 CDK2 (0.74) CDK2JAK2BRD4FLT3CDK4
Dimethylamine SCHEMBL6593494 0.82 CDK2 (0.78) CDK2CDK4CDK1IKBKB
SCHEMBL6594955 0.81 CDK2 (1.00) CDK2CDK4CDK1IKBKB
SCHEMBL6593492 0.80 CDK2 (0.74) CDK2CDK4CDK1IKBKB
SCHEMBL6364557 0.78 CDK2 (0.72) CDK2CDK4CCNE1CDK1IKBKB
SCHEMBL6596500 0.78 CDK2 (0.64) CDK2JAK2CDK4GSK3BCCNE1
SCHEMBL4824463 0.75 CDK2 (0.58) CDK2CDK4GSK3BCCNE1CCNT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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