SCHEMBL6623217

SCHEMBL6623217

Cc1nc(C(C)C)c(-c2ccnc(Nc3ccc(S(=O)(=O)CC4CCCO4)cc3)n2)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.65
CDK4 P11802 7/20 0.65
SYK P43405 4/20 0.41
GSK3B P49841 2/20 0.37
CCNE1 P24864 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CCND3 P30281 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37

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
SCHEMBL6387033 0.83 CDK2 (0.50) CDK2CDK4SYKCCNA2CCNA1
SCHEMBL4021385 0.81 CDK2 (0.48) CDK2CDK4SYKCCNA2CCNA1
SCHEMBL6824629 0.79 SYK (0.44) CDK2CDK4SYKGSK3BCCNE1
SCHEMBL6621418 0.79 CDK2 (0.56) CDK2CDK4GSK3BCCNE1CCNT1
SCHEMBL6410279 0.79 CDK2 (1.00) CDK2CDK4GSK3BCCNE1CCNT1
SCHEMBL6603729 0.76 CDK2 (0.51) CDK2CDK4SYKCCNA2CCNA1
SCHEMBL6604728 0.74 CDK2 (0.48) CDK2CDK4SYKCCNA2CCNA1
SCHEMBL6443063 0.72 CDK2 (0.58) CDK2CDK4SYKCDK1IKBKB
SCHEMBL6604316 0.71 CDK2 (0.50) CDK2CDK4SYKCCNA2CCNA1
SCHEMBL6605982 0.70 CDK2 (0.49) CDK2CDK4SYKCCNA2CCNA1

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-1487823-A1 DERIVATIVES OF 4-(IMIDAZOL-5-YL)-2-(4-SULFOANILINO)PYRIMIDINE WITH CDK INHIBITORY ACTIVITY AstraZeneca AB (SE) 2004-12-22 EP claimed
WO-2003076436-A1 DERIVATIVES OF 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE WITH CDK INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 WO claimed