SCHEMBL6603610

SCHEMBL6603610

CCc1nc(C)c(-c2ccnc(Nc3ccc(S(=O)(=O)NC4CCC4)cc3)n2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
PLK2 Q9NYY3 1/20 0.42
CDK2 P24941 7/20 0.40
IKBKB O14920 4/20 0.40
LMNA P02545 2/20 0.40
DKK1 O94907 1/20 0.40
GSK3B P49841 1/20 0.40
PTK2 Q05397 1/20 0.40
PTK2B Q14289 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK4 P11802 3/20 0.39

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
SCHEMBL6607780 0.96 CDK2 (0.41) SYKPLK1PLK3PLK2CDK2
SCHEMBL6606468 0.85 CDK2 (0.44) CDK2IKBKBDKK1GSK3BCCNT1
SCHEMBL6604316 0.82 CDK2 (0.50) SYKCDK2LMNACCNA2CCNA1
SCHEMBL6821644 0.81 CDK2 (0.41) SYKPLK1PLK3PLK2CDK2
SCHEMBL6600257 0.81 SYK (0.43) SYKPLK1PLK3PLK2CDK2
SCHEMBL6606019 0.80 CDK2 (0.64) SYKCDK2IKBKBCDK1CDK4
SCHEMBL6824629 0.80 SYK (0.44) SYKPLK1PLK3PLK2CDK2
SCHEMBL5102535 0.76 CDK2 (0.52) SYKPLK1PLK3PLK2CDK2
SCHEMBL6105624 0.75 CDK2 (0.68) SYKCDK2GSK3BCCNT1CDK1
SCHEMBL4026694 0.73 CDK2 (0.64) CDK2GSK3BCCNT1CDK1CCNB1

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 4 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 claimed
WO-2003076434-A1 4- IMIDAZOLYL SUBSTUITED PYRIMIDINE DERIVATIVES WITH CDK INHIBITIORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 WO claimed
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