SCHEMBL6601934

SCHEMBL6601934

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.61
CDK1 P06493 5/20 0.61
CCNB1 P14635 5/20 0.61
CDK9 P50750 5/20 0.61
CDK2 P24941 5/20 0.60
IKBKB O14920 9/20 0.58
DKK1 O94907 2/20 0.58
GSK3B P49841 2/20 0.58
MAPK8 P45983 1/20 0.54
MAPK10 P53779 1/20 0.54
CDK4 P11802 2/20 0.52
CCNA2 P20248 1/20 0.51
CDK7 P50613 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
SCHEMBL6599765 0.88 CDK2 (0.57) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL4824472 0.85 CDK2 (0.63) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL4821808 0.83 KDR (0.53) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL6605944 0.83 CDK2 (0.60) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL6599298 0.81 CDK2 (0.67) CDK1CDK2IKBKBCDK4
SCHEMBL6593928 0.75 CDK2 (0.69) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL6104395 0.75 CDK2 (1.00) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL3518049 0.75 IKBKB (0.79) CDK2IKBKBDKK1GSK3BMAPK8
SCHEMBL4824463 0.74 CDK2 (0.58) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL11264019 0.74 IKBKB (0.66) CCNT1CDK1CCNB1CDK9CDK2

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