SCHEMBL13075772

SCHEMBL13075772

C=C(N)/N=C(C)\N=C(/N)c1cccnc1Nc1cccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.47
MTOR P42345 3/20 0.47
PIK3CD O00329 3/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 3/20 0.47
SYK P43405 3/20 0.42
RET P07949 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CCR4 P51679 1/20 0.35
NPC1 O15118 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
SCHEMBL13075397 0.85 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2980462 0.67 PIK3CA (0.52) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL14911215 0.66 NUDT1 (0.57) KCNH2SMN1; SMN2MAPTHTTRAB9A
SCHEMBL23709530 0.66 EPHB4 (0.49) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL166167 0.64 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL167289 0.63 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL161349 0.61 PIK3CA (0.75) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13987122 0.61 AHR (0.47) PIK3CDMAPK1AHR
SCHEMBL23046869 0.61 MAPK1 (0.49) PIK3CDMAPK1ALDH1A1AHR
SCHEMBL29822183 0.60 NUDT1 (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed