SCHEMBL6607780

SCHEMBL6607780

CCc1nc(C)c(-c2ccnc(Nc3ccc(S(=O)(=O)NC4CC4)cc3)n2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.41
SYK P43405 1/20 0.41
IKBKB O14920 5/20 0.41
DKK1 O94907 1/20 0.41
GSK3B P49841 1/20 0.41
CCNT1 O60563 5/20 0.41
CDK9 P50750 5/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
CCNA1 P78396 1/20 0.41
CHUK O15111 2/20 0.40
CDK4 P11802 2/20 0.40
STK4 Q13043 1/20 0.40
PLK1 P53350 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
PLK2 Q9NYY3 1/20 0.40
STK3 Q13188 1/20 0.40

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
SCHEMBL6603610 0.96 SYK (0.44) CDK2SYKIKBKBDKK1GSK3B
SCHEMBL6606468 0.87 CDK2 (0.44) CDK2IKBKBDKK1GSK3BCCNT1
SCHEMBL6821644 0.85 CDK2 (0.41) CDK2SYKIKBKBDKK1GSK3B
SCHEMBL6604316 0.82 CDK2 (0.50) CDK2SYKCCNA2CCNA1CDK4
SCHEMBL6606019 0.81 CDK2 (0.64) CDK2SYKIKBKBCDK1CDK4
SCHEMBL6600257 0.77 SYK (0.43) CDK2SYKIKBKBDKK1GSK3B
SCHEMBL6824629 0.76 SYK (0.44) CDK2SYKIKBKBDKK1GSK3B
SCHEMBL6598042 0.76 CDK2 (0.66) CDK2SYKIKBKBDKK1GSK3B
SCHEMBL6105414 0.76 CDK2 (0.74) CDK2GSK3BCCNT1CDK9CDK1
SCHEMBL5095321 0.76 CDK2 (0.54) CDK2GSK3BCCNT1CDK9CDK1

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