SCHEMBL14216122

SCHEMBL14216122

Cc1cc(C)cc(Nc2nccc(-c3ncc(C)s3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 1.00
SYK P43405 14/20 1.00
SRC P12931 12/20 1.00
CDK2 P24941 7/20 1.00
CDK4 P11802 2/20 0.52
GSK3B P49841 1/20 0.52
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
KDR P35968 2/20 0.46
AURKA O14965 1/20 0.44
CDK1 P06493 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL14216081 0.94 ZAP70 (0.88) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216222 0.88 CDK2 (0.79) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216168 0.87 SYK (0.77) ZAP70SYKSRCCDK2ABL1
SCHEMBL14378969 0.87 SYK (0.77) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216198 0.87 ZAP70 (0.77) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216203 0.87 SYK (0.77) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216024 0.87 ZAP70 (0.77) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216063 0.87 SRC (0.77) ZAP70SYKSRCCDK2CDK4
SCHEMBL14378961 0.85 CDK2 (0.74) ZAP70SYKSRCCDK2CDK4
SCHEMBL14216006 0.85 SYK (0.74) ZAP70SYKSRCCDK2CDK4

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