SCHEMBL6603829

SCHEMBL6603829

CCOCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(CC(C)CSCC)[nH]3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.48
CDK4 P11802 6/20 0.48
IKBKB O14920 4/20 0.42
CDK1 P06493 2/20 0.41
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 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
SCHEMBL6603828 0.77 CDK2 (0.45) CDK2CDK4IKBKBCDK1CCNT1
SCHEMBL5096296 0.74 CDK2 (0.84) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL6606156 0.74 CDK2 (0.52) CDK2CDK4IKBKBCDK1CCNT1
SCHEMBL5098684 0.73 CDK2 (0.59) CDK2CDK4IKBKBCDK1
SCHEMBL5915819 0.73 CDK2 (0.69) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL6415710 0.73 CDK2 (0.84) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL5783474 0.73 CDK2 (0.59) CDK2CDK4IKBKBCDK1
SCHEMBL5105457 0.72 CDK2 (0.83) CDK2CDK4CDK1CCNT1CDK9
SCHEMBL4823730 0.72 CDK2 (0.66) CDK2CDK4IKBKBCDK1CCNT1
SCHEMBL5915798 0.72 CDK2 (0.72) CDK2CDK4CDK1CCNT1CDK9

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-1490354-A1 4-IMIDAZOLYL SUBSTITUTED PYRIMIDINE DERIVATIVES WITH CDK INHIBITORY ACTIVITY Astrazeneca AB (SE) 2004-12-29 EP disclosed
WO-2003076434-A1 4- IMIDAZOLYL SUBSTUITED PYRIMIDINE DERIVATIVES WITH CDK INHIBITIORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 WO disclosed