SCHEMBL14216016

SCHEMBL14216016

Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(C)s3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.72
SYK P43405 14/20 0.72
SRC P12931 12/20 0.72
CDK2 P24941 10/20 0.72
CDK4 P11802 5/20 0.49
GSK3B P49841 1/20 0.49
AURKA O14965 2/20 0.48
CDK1 P06493 2/20 0.48
CDK7 P50613 2/20 0.48
CDK9 P50750 2/20 0.48
AURKB Q96GD4 1/20 0.48
KDR P35968 1/20 0.46

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
SCHEMBL14378974 0.89 SYK (0.73) ZAP70SYKSRCCDK2KDR
SCHEMBL14378999 0.85 CDK2 (0.64) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216122 0.84 ZAP70 (1.00) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216149 0.84 SYK (0.68) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216049 0.84 SYK (0.76) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216308 0.84 ZAP70 (0.65) ZAP70SYKSRCCDK2CDK4
SCHEMBL4391357 0.84 CDK2 (0.68) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216034 0.84 SYK (0.76) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216043 0.84 SYK (0.83) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216015 0.83 SYK (0.57) ZAP70SYKSRCCDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605946-B1 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2008-05-28 EP disclosed
US-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 US disclosed
US-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 US disclosed