SCHEMBL14216012

SCHEMBL14216012

Cc1cc(C)cc(Nc2nccc(-c3ncc(CNc4ccccc4)s3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.71
ZAP70 P43403 13/20 0.71
SRC P12931 11/20 0.71
CDK2 P24941 7/20 0.65
CDK4 P11802 2/20 0.46
GSK3B P49841 1/20 0.46
KDR P35968 3/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
JAK2 O60674 1/20 0.44
FLT3 P36888 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
SCHEMBL14216167 0.92 ZAP70 (0.69) SYKZAP70SRCCDK2CDK4
SCHEMBL14216170 0.92 SYK (0.71) SYKZAP70SRCCDK2CDK4
SCHEMBL14216017 0.84 SYK (0.80) SYKZAP70SRCCDK2CDK4
SCHEMBL14216291 0.84 SYK (0.70) SYKZAP70SRCCDK2CDK4
SCHEMBL14216077 0.84 SYK (0.64) SYKZAP70SRCCDK2CDK4
SCHEMBL14216160 0.83 SYK (1.00) SYKZAP70SRCCDK2CDK4
SCHEMBL14216274 0.82 SYK (0.77) SYKZAP70SRCCDK2CDK4
SCHEMBL14216121 0.81 SYK (0.76) SYKZAP70SRCCDK2CDK4
SCHEMBL14216120 0.81 ZAP70 (0.76) SYKZAP70SRCCDK2CDK4
SCHEMBL14216092 0.81 SYK (0.74) 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