SCHEMBL4396898

SCHEMBL4396898

O=C(O)Cc1csc(-c2ccnc(Nc3ccc(Cl)cc3)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.53
CDK2 P24941 5/20 0.53
SRC P12931 5/20 0.53
ZAP70 P43403 5/20 0.53
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
IKBKB O14920 2/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PLK1 P53350 1/20 0.46
AURKA O14965 1/20 0.43
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL4390469 0.88 ALDH1A1 (0.62) SYKCDK2SRCZAP70PIK3CA
SCHEMBL5034190 0.83 SYK (0.76) SYKCDK2SRCZAP70MAPT
SCHEMBL4384443 0.77 SYK (0.70) SYKCDK2SRCZAP70PIK3CA
SCHEMBL4386062 0.77 CYP1A1 (0.66) CDK2PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL12050106 0.76 MAPT (0.74) MAPTALDH1A1GAANPC1NFKB1
Fenclozic Acid SCHEMBL27104 0.74 LMNA (0.73) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL13924481 0.73 SYK (0.77) SYKCDK2SRCZAP70PIK3CA
SCHEMBL4391861 0.73 CDK2 (0.50) SYKCDK2PIK3CAPIK3CBPIK3CG
SCHEMBL4385796 0.72 CDK2 (0.58) SYKCDK2SRCZAP70PIK3CA
SCHEMBL14216224 0.72 SYK (0.70) SYKCDK2SRCZAP70

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751146-B1 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LTD (GB) 2009-12-02 EP claimed