SCHEMBL14215971

SCHEMBL14215971

Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.67
ZAP70 P43403 8/20 0.67
SRC P12931 7/20 0.67
CDK2 P24941 9/20 0.61
CDK9 P50750 4/20 0.46
JAK2 O60674 3/20 0.46
CCNT1 O60563 3/20 0.46
CCNA2 P20248 1/20 0.46
CDK1 P06493 2/20 0.46
SMG1 Q96Q15 1/20 0.46
CDK4 P11802 4/20 0.46
AURKA O14965 3/20 0.46
AURKB Q96GD4 3/20 0.46
JAK3 P52333 2/20 0.45
GSK3B P49841 2/20 0.44
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
CIT O14578 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
SCHEMBL14216005 0.91 SYK (0.69) SYKZAP70SRCCDK2JAK2
SCHEMBL14216062 0.90 SYK (0.67) SYKZAP70SRCCDK2CDK9
SCHEMBL14215969 0.90 SYK (0.67) SYKZAP70SRCCDK2JAK2
SCHEMBL14216229 0.89 SYK (0.66) SYKZAP70SRCCDK2CDK9
SCHEMBL14216021 0.85 SYK (0.64) SYKZAP70SRCCDK2CDK9
SCHEMBL14216161 0.84 SRC (0.67) SYKZAP70SRCCDK2CDK9
SCHEMBL14216171 0.84 SYK (0.56) SYKZAP70SRCCDK2CDK9
SCHEMBL14216085 0.83 SYK (0.52) SYKZAP70SRCCDK2CDK9
SCHEMBL14216017 0.82 SYK (0.80) SYKZAP70SRCCDK2CDK4
SCHEMBL14216200 0.82 SYK (0.58) SYKZAP70SRCCDK2JAK2

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