SCHEMBL2016846

SCHEMBL2016846

N#Cc1cc(CCNc2ncnc3[nH]cnc23)c(-c2cccc(F)c2)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.45
SYK P43405 1/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
MAP4K4 O95819 6/20 0.38
BCL2 P10415 1/20 0.36
PIK3CG P48736 1/20 0.36
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CLK4 Q9HAZ1 4/20 0.35
PRKACA P17612 2/20 0.35
GSK3B P49841 2/20 0.35
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
PIM1 P11309 1/20 0.35
CDK2 P24941 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL2014851 0.89 PIK3CD (0.46) PIK3CDSYKMAP4K4PIK3CGLMNA
SCHEMBL2014148 0.87 PIK3CD (0.47) PIK3CDSYKAXLMERTKMAP4K4
SCHEMBL2016210 0.87 PIK3CD (0.55) PIK3CDSYKAXLMERTKMAP4K4
SCHEMBL2013295 0.83 PIK3CD (0.53) PIK3CDSYKMAP4K4PIK3CGLMNA
Trifluoroacetic Acid SCHEMBL2052106 0.81 PIK3CD (0.42) PIK3CDSYKMAP4K4PIK3CGLMNA
SCHEMBL2016845 0.81 PIK3CD (0.62) PIK3CDAXLMERTKMAP4K4BCL2
SCHEMBL2051140 0.79 PIK3CD (0.45) PIK3CDSYKAXLMERTKMAP4K4
SCHEMBL2013332 0.79 MAP4K4 (0.42) PIK3CDSYKMAP4K4BCL2CLK4
SCHEMBL2016719 0.79 PIK3CD (0.47) PIK3CDSYKAXLMERTKMAP4K4
SCHEMBL9952230 0.78 PIK3CD (0.56) PIK3CDAXLMERTKMAP4K4BCL2

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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO claimed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed