SCHEMBL6605944

SCHEMBL6605944

Cc1nc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c(C)n1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.60
IKBKB O14920 7/20 0.58
GSK3B P49841 3/20 0.58
DKK1 O94907 2/20 0.58
CCNT1 O60563 5/20 0.58
CDK1 P06493 5/20 0.58
CCNB1 P14635 5/20 0.58
CDK9 P50750 5/20 0.58
CDK4 P11802 5/20 0.58
MAPK8 P45983 2/20 0.58
CCNA2 P20248 2/20 0.58
CDK7 P50613 2/20 0.58
CCNH P51946 2/20 0.58
CCNA1 P78396 2/20 0.58
CSNK2A2 P19784 1/20 0.58
CCND1 P24385 1/20 0.58
CCNE1 P24864 1/20 0.58
CCND3 P30281 1/20 0.58
MAPK9 P45984 1/20 0.58
CSNK1A1 P48729 1/20 0.58

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
SCHEMBL4822550 0.85 CDK2 (0.63) CDK2IKBKBGSK3BDKK1CCNT1
SCHEMBL6601934 0.83 CCNT1 (0.61) CDK2IKBKBGSK3BDKK1CCNT1
SCHEMBL22650623 0.79 CDK2 (0.52) CDK2IKBKBGSK3BDKK1CCNT1
SCHEMBL6593928 0.75 CDK2 (0.69) CDK2IKBKBGSK3BDKK1CCNT1
SCHEMBL6104395 0.75 CDK2 (1.00) CDK2IKBKBGSK3BDKK1CCNT1
SCHEMBL3518049 0.75 IKBKB (0.79) CDK2IKBKBGSK3BDKK1CDK4
SCHEMBL3517290 0.74 IKBKB (0.78) CDK2IKBKBGSK3BDKK1CCNT1
SCHEMBL4826639 0.74 CDK2 (0.57) CDK2GSK3BCCNT1CDK1CCNB1
SCHEMBL11264019 0.74 IKBKB (0.66) CDK2IKBKBGSK3BDKK1CCNT1
Azd-5438 SCHEMBL29388208 0.73 CDK2 (1.00) CDK2GSK3BCCNT1CDK1CCNB1

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-1485374-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2004-12-15 EP claimed
WO-2003076433-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-09-18 WO claimed