SCHEMBL4067147

SCHEMBL4067147

Cc1c(N2CCNCC2)sc2c(N3CCOCC3)nc(Cl)nc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
GUSB P08236 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CA P42336 4/20 0.37
MTOR P42345 4/20 0.37
PIK3R1 P27986 1/20 0.37
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRB1 P08588 1/20 0.36
PRKCI P41743 3/20 0.35
ALOX15 P16050 1/20 0.34
SOS1 Q07889 1/20 0.34

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
SCHEMBL189969 0.82 PIK3CA (0.52) HTR2CPIK3CAMTOR
Hydrochloric Acid SCHEMBL30151154 0.81 PIK3CA (0.51) HTR2CPIK3CAMTOR
SCHEMBL4069888 0.81 HTR2C (0.51) HTR2CGUSBTSHRKMT2ANPSR1
SCHEMBL19849051 0.81 SMN1; SMN2 (0.41) PIK3CAMTORPIK3R1SMN1; SMN2MAPK1
SCHEMBL1181308 0.79 SMN1; SMN2 (0.40) PIK3CAMTORPIK3R1SMN1; SMN2MAPK1
SCHEMBL26252782 0.77 SMN1; SMN2 (0.38) PIK3CAMTORPIK3R1SMN1; SMN2MAPK1
SCHEMBL27943079 0.77 PIK3CA (0.39) PIK3CAMTORPIK3R1SMN1; SMN2MAPK1
SCHEMBL1180546 0.76 PIK3CA (0.47) PIK3CAMTORPIK3R1SMN1; SMN2MAPK1
SCHEMBL190265 0.76 PIK3CA (0.40) PIK3CAMTORPIK3R1SMN1; SMN2MAPK1
SCHEMBL29788273 0.76 PIK3CA (0.40) PIK3CAMTORPIK3R1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP disclosed
EP-2032582-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 WO disclosed