SCHEMBL6597003

SCHEMBL6597003

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.69
CDK4 P11802 8/20 0.69
CDK1 P06493 3/20 0.51
CCNT1 O60563 1/20 0.51
CCNB1 P14635 1/20 0.51
CSNK2A2 P19784 1/20 0.51
CCNA2 P20248 1/20 0.51
CCND1 P24385 1/20 0.51
CCNE1 P24864 1/20 0.51
CCND3 P30281 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
CCNH P51946 1/20 0.51
CCNA1 P78396 1/20 0.51

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
SCHEMBL6104649 0.88 CDK2 (0.72) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL6595834 0.88 CDK2 (0.81) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL5092310 0.87 CDK2 (0.67) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL6595783 0.86 CDK2 (0.77) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL6595576 0.85 CDK2 (0.77) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL6596936 0.84 CDK2 (0.81) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL5096310 0.84 CDK2 (0.74) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL6104956 0.84 CDK2 (0.69) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL6592484 0.84 CDK2 (0.74) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL6597963 0.83 CDK2 (0.71) CDK2CDK4CDK1CCNT1CCNB1

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