SCHEMBL14216062

SCHEMBL14216062

CCN1CCN(Cc2cnc(-c3ccnc(Nc4cc(C)cc(C)c4)n3)s2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.67
ZAP70 P43403 14/20 0.67
SRC P12931 11/20 0.67
CDK2 P24941 7/20 0.61
CDK4 P11802 2/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CCND3 P30281 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
CDK6 Q00534 1/20 0.44
GSK3B P49841 1/20 0.44
BTK Q06187 1/20 0.43
FLT3 P36888 2/20 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
SCHEMBL14215969 0.92 SYK (0.67) SYKZAP70SRCCDK2CDK4
SCHEMBL14216005 0.91 SYK (0.69) SYKZAP70SRCCDK2CDK4
SCHEMBL14215971 0.90 SYK (0.67) SYKZAP70SRCCDK2CDK4
SCHEMBL14216229 0.89 SYK (0.66) SYKZAP70SRCCDK2CDK4
SCHEMBL14216017 0.84 SYK (0.80) SYKZAP70SRCCDK2CDK4
SCHEMBL14216162 0.83 SYK (0.69) SYKZAP70SRCCDK2CDK4
SCHEMBL14216274 0.82 SYK (0.77) SYKZAP70SRCCDK2CDK4
SCHEMBL14216121 0.81 SYK (0.76) SYKZAP70SRCCDK2CDK4
SCHEMBL14216160 0.81 SYK (1.00) SYKZAP70SRCCDK2CDK4
SCHEMBL14215970 0.80 SYK (0.62) 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