SCHEMBL4569738

SCHEMBL4569738

O=C1CCCc2c1sc(N1CCOCC1)c2-c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.44
PIK3CB P42338 4/20 0.44
PIK3CG P48736 4/20 0.44
PIK3CD O00329 3/20 0.44
AR P10275 1/20 0.40
GSK3B P49841 2/20 0.36
PRKDC P78527 2/20 0.36
CDK2 P24941 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MTOR P42345 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ROCK2 O75116 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PIK3R1 P27986 1/20 0.33
MAPK10 P53779 1/20 0.33
CYP3A4 P08684 1/20 0.33
AKT1 P31749 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
SCHEMBL3751674 0.88 HSD17B10 (0.43) PIK3CAPIK3CBPIK3CGPIK3CDAR
SCHEMBL3769513 0.81 GABRG2 (0.50) PIK3CAPIK3CBPIK3CGPIK3CDAR
SCHEMBL3759549 0.81 PRKDC (0.44) PIK3CAPIK3CBPIK3CGPIK3CDAR
SCHEMBL3754789 0.75 LRRK2 (0.42) PIK3CAPRKDCALDH1A1MTORLMNA
SCHEMBL3765770 0.74 AOC3 (0.37) PIK3CAPIK3CDMTOR
SCHEMBL3764986 0.74 PIK3CD (0.49) PIK3CAPIK3CBPIK3CGPIK3CDPRKDC
SCHEMBL3765735 0.74 PIK3CD (0.49) PIK3CAPIK3CBPIK3CGPIK3CDPRKDC
SCHEMBL3759120 0.73 PARP1 (0.39) PIK3CAMTORKDM4EROCK2
SCHEMBL3766049 0.71 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGPIK3CDALDH1A1
SCHEMBL3757639 0.71 PIK3CD (0.41) PIK3CAPIK3CBPIK3CGPIK3CDPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed