SCHEMBL14216017

SCHEMBL14216017

CCc1cnc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)s1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.80
ZAP70 P43403 14/20 0.80
SRC P12931 12/20 0.80
CDK2 P24941 6/20 0.73
CDK4 P11802 1/20 0.48
GSK3B P49841 1/20 0.48
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
KDR P35968 2/20 0.43
FLT3 P36888 1/20 0.42

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
SCHEMBL14216274 0.91 SYK (0.77) SYKZAP70SRCCDK2CDK4
SCHEMBL14216160 0.89 SYK (1.00) SYKZAP70SRCCDK2CDK4
SCHEMBL14216120 0.87 ZAP70 (0.76) SYKZAP70SRCCDK2CDK4
SCHEMBL14216121 0.87 SYK (0.76) SYKZAP70SRCCDK2CDK4
SCHEMBL14216122 0.85 ZAP70 (1.00) SYKZAP70SRCCDK2CDK4
SCHEMBL14216012 0.84 SYK (0.71) SYKZAP70SRCCDK2CDK4
SCHEMBL14216170 0.84 SYK (0.71) SYKZAP70SRCCDK2CDK4
SCHEMBL14216062 0.84 SYK (0.67) SYKZAP70SRCCDK2CDK4
SCHEMBL14216291 0.83 SYK (0.70) SYKZAP70SRCCDK2CDK4
SCHEMBL14216167 0.82 ZAP70 (0.69) SYKZAP70SRCCDK2CDK4

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