SCHEMBL5220809

SCHEMBL5220809

Cc1nc(-c2ccnc(Nc3ccc(Cl)nc3)n2)sc1CC=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.50
ZAP70 P43403 8/20 0.50
SRC P12931 6/20 0.50
CDK2 P24941 12/20 0.43
CDK4 P11802 8/20 0.41
CDK1 P06493 3/20 0.41
CDK7 P50613 3/20 0.41
CDK9 P50750 3/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 1/20 0.41
PLK1 P53350 2/20 0.39
CCNA2 P20248 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CCNH P51946 1/20 0.38

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
SCHEMBL5310238 0.89 CDK2 (0.56) SYKZAP70SRCCDK2CDK4
SCHEMBL4397546 0.82 CDK2 (0.50) SYKZAP70SRCCDK2CDK4
SCHEMBL4385552 0.79 SYK (0.50) SYKZAP70SRCCDK2CDK4
SCHEMBL4384008 0.76 SYK (0.48) SYKZAP70SRCCDK2CDK4
SCHEMBL4388111 0.75 SYK (0.54) SYKZAP70SRCCDK2CDK4
SCHEMBL5227039 0.75 SYK (0.54) SYKZAP70SRCCDK2CDK4
SCHEMBL5620875 0.74 CDK2 (0.76) CDK2CDK4CDK1CDK7CDK9
SCHEMBL5621800 0.73 CDK2 (0.70) CDK2CDK4CDK1CDK7CDK9
SCHEMBL4393948 0.73 CDC7 (0.59) SYKZAP70SRCCDK2
SCHEMBL5620822 0.72 CDK2 (0.69) SYKSRCCDK2CDK4CDK1

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-1751146-A2 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY Cyclacel Limited (GB) 2007-02-14 EP disclosed
WO-2005075468-A2 PYRIDINYL - OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LIMITED (GB) 2005-08-18 WO disclosed