SCHEMBL6599298

SCHEMBL6599298

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

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.67
CDK4 P11802 6/20 0.67
CDK1 P06493 2/20 0.59
IKBKB O14920 4/20 0.47

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
SCHEMBL4817051 0.88 CDK2 (0.72) CDK2CDK4CDK1IKBKB
SCHEMBL6106428 0.86 CDK2 (0.90) CDK2CDK4CDK1
SCHEMBL6599765 0.84 CDK2 (0.57) CDK2CDK4CDK1IKBKB
SCHEMBL4820462 0.82 CDK2 (0.80) CDK2CDK4CDK1IKBKB
SCHEMBL6601934 0.81 CCNT1 (0.61) CDK2CDK4CDK1IKBKB
SCHEMBL6595584 0.81 CDK2 (0.78) CDK2CDK4CDK1
SCHEMBL5092316 0.80 CDK2 (1.00) CDK2CDK4CDK1
SCHEMBL6593918 0.80 CDK2 (0.90) CDK2CDK4CDK1
SCHEMBL4825298 0.78 CDK2 (0.71) CDK2CDK4CDK1IKBKB
SCHEMBL4821591 0.77 CDK2 (0.72) CDK2CDK4CDK1IKBKB

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