SCHEMBL4779283

SCHEMBL4779283

CC(C)(C)OC(=O)n1ccc2ccnc(-c3ccsc3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.38
ACLY P53396 1/20 0.37
PIK3CA P42336 3/20 0.36
PIK3CD O00329 2/20 0.36
ABL1 P00519 2/20 0.36
EGFR P00533 2/20 0.36
HCK P08631 2/20 0.36
SRC P12931 2/20 0.36
KDR P35968 2/20 0.36
PIK3CB P42338 2/20 0.36
MTOR P42345 2/20 0.36
PIK3CG P48736 2/20 0.36
EPHB4 P54760 2/20 0.36
PRKDC P78527 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
TNK2 Q07912 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
KDM4E B2RXH2 1/20 0.34
BUB1 O43683 1/20 0.33

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
SCHEMBL31355592 0.76 ACLY (0.39) GPR119ACLYPIK3CAPIK3CDABL1
SCHEMBL21565885 0.75 ACLY (0.38) GPR119ACLYPIK3CAPIK3CDABL1
SCHEMBL30500251 0.75 ACLY (0.38) GPR119ACLYPIK3CAPIK3CDABL1
SCHEMBL19100224 0.74 ACLY (0.37) GPR119ACLYPIK3CAPIK3CDABL1
SCHEMBL31355587 0.74 ACLY (0.39) GPR119ACLYPIK3CAPIK3CDABL1
SCHEMBL18437152 0.68 PIK3CD (0.38) GPR119PIK3CAPIK3CDABL1EGFR
SCHEMBL14164212 0.67 GPR119 (0.48) GPR119PIK3CAPIK3CGKDM4EMAP3K5
SCHEMBL1349273 0.66 ACLY (0.47) GPR119ACLYPIK3CAPIK3CDABL1
SCHEMBL30711258 0.66 ACLY (0.47) GPR119ACLYPIK3CAPIK3CDABL1
SCHEMBL31440156 0.66 HSP90AA1 (0.39) GPR119ACLYPIK3CAPIK3CDABL1

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
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed