SCHEMBL6599765

SCHEMBL6599765

CCn1c(C)nc(-c2ccnc(Nc3ccc(S(=O)(=O)NC)cc3)n2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.57
CDK4 P11802 4/20 0.54
CCNT1 O60563 5/20 0.48
CDK1 P06493 5/20 0.48
CCNB1 P14635 5/20 0.48
CDK9 P50750 5/20 0.48
IKBKB O14920 3/20 0.45
GSK3B P49841 2/20 0.45
CCNA2 P20248 2/20 0.45
CDK7 P50613 2/20 0.45
CCNH P51946 2/20 0.45
CCNA1 P78396 2/20 0.45
CSNK2A2 P19784 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 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

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
SCHEMBL6601934 0.88 CCNT1 (0.61) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL4824463 0.85 CDK2 (0.58) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6599298 0.84 CDK2 (0.67) CDK2CDK4CDK1IKBKB
SCHEMBL6593352 0.83 CDK2 (0.81) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL4821808 0.82 KDR (0.53) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6106140 0.75 CDK2 (0.78) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6596039 0.75 CDK2 (0.72) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL4824472 0.74 CDK2 (0.63) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL4156267 0.73 SYK (0.65) CDK2CCNT1CDK9
SCHEMBL4021908 0.73 CDK2 (0.62) CDK2CDK4CCNT1CDK1CCNB1

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