SCHEMBL13725965

SCHEMBL13725965

O=c1c(-c2ccccc2F)c(CCNc2ncnc3[nH]cnc23)oc2cccc(F)c12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
AURKA O14965 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDPK1 O15530 1/20 0.30
RPS6KB1 P23443 1/20 0.30
PARP1 P09874 2/20 0.30
STK4 Q13043 1/20 0.30
STK3 Q13188 1/20 0.30
LRRK2 Q5S007 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL13727316 0.93 CYP1A2 (0.36) PIK3CDPIK3CGMAPK1HTTTAAR1
SCHEMBL13726578 0.87 PIK3CD (0.43) PIK3CDPIK3CGAURKALRRK2
SCHEMBL13726175 0.86 ADK (0.40) PIK3CDPIK3CGMAPK1HTTTAAR1
SCHEMBL30670877 0.81 PIK3CD (0.40) PIK3CDPIK3CGMAPK1HTTAURKA
SCHEMBL7800 0.81 PIK3CD (0.40) PIK3CDPIK3CGMAPK1HTTAURKA
SCHEMBL13717872 0.78 PIK3CD (0.39) PIK3CDPIK3CGLMNASMN1; SMN2
SCHEMBL8573 0.78 PIK3CD (0.54) PIK3CDPIK3CGMAPK1HTTLMNA
SCHEMBL15689089 0.77 PIK3CD (0.41) PIK3CDPIK3CGMAPK1HTTTAAR1
SCHEMBL8546 0.76 PIK3CD (0.43) PIK3CDPIK3CGMAPK1HTTTAAR1
SCHEMBL13727583 0.76 PIK3CD (0.38) PIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705029-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES Rhizen Pharmaceuticals S.A. (CH) 2014-03-12 EP claimed
WO-2012151525-A9 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO claimed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 WO claimed
EP-2916868-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A PDE4 INHIBITOR AND A PI3 DELTA OR DUAL PI3 DELTA-GAMMA KINASE INHIBITOR Rhizen Pharmaceuticals S.A. (CH) 2015-09-16 EP disclosed
WO-2014072937-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A PDE4 INHIBITOR AND A PI3 DELTA OR DUAL PI3 DELTA-GAMMA KINASE INHIBITOR RHIZEN PHARMACEUTICALS SA (CH) 2014-05-15 WO disclosed
EP-2705029-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES Rhizen Pharmaceuticals S.A. (CH) 2014-03-12 EP disclosed
WO-2012151525-A9 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 WO disclosed