SCHEMBL8084540

SCHEMBL8084540

O=C(Nc1nc2ccc(-c3ccnc(CCc4ccccc4)n3)cc2s1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.80
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
ABL1 P00519 1/20 0.55
LRRK2 Q5S007 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
SCD O00767 1/20 0.54
MTOR P42345 1/20 0.53

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
SCHEMBL1619559 0.89 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL1618790 0.87 PIK3CA (0.81) PIK3CASMN1; SMN2TP53MAPTSCD
SCHEMBL14748038 0.86 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL1619564 0.83 PIK3CA (0.89) PIK3CAMTOR
SCHEMBL14747993 0.81 PIK3CA (0.85) PIK3CAMTOR
SCHEMBL1620365 0.80 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL14747992 0.80 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL1621495 0.78 PIK3CA (0.91) PIK3CAMTOR
SCHEMBL14747995 0.78 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL8089142 0.78 PIK3CA (0.81) PIK3CAMTOR

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-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed