SCHEMBL6606812

SCHEMBL6606812

C=CCCc1nc(CCC)c(-c2ccnc(Nc3ccc(S(=O)(=O)N(CCOC)COCC[Si](C)(C)C)cc3)n2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.40
CDK4 P11802 5/20 0.34
IKBKB O14920 4/20 0.33
SYK P43405 2/20 0.32
CDK1 P06493 1/20 0.31
CHUK O15111 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL5108289 0.82 CDK2 (0.49) CDK2CDK4CDK1
SCHEMBL6606819 0.80 CDK2 (0.41) CDK2CDK4IKBKBSYKCDK1
SCHEMBL6608943 0.79 CDK2 (0.42) CDK2CDK4IKBKBSYKCDK1
SCHEMBL6604829 0.75 CDK2 (0.46) CDK2CDK4IKBKBSYKCDK1
SCHEMBL6608941 0.75 CDK2 (0.44) CDK2CDK4IKBKBSYKCDK1
SCHEMBL6608947 0.73 CDK2 (0.43) CDK2CDK4IKBKBSYKCDK1
SCHEMBL5095462 0.73 CDK2 (0.51) CDK2CDK4CDK1
SCHEMBL5101838 0.72 CDK2 (0.53) CDK2CDK4CDK1
SCHEMBL6604661 0.67 CDK2 (0.47) CDK2CDK4IKBKBSYK
SCHEMBL6603828 0.66 CDK2 (0.45) CDK2CDK4IKBKBCDK1

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