SCHEMBL16612783

SCHEMBL16612783

Cc1cnc(-n2ccc3c(N)cccc32)c(-c2nc(C)nc(N)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.45
MTOR P42345 5/20 0.45
PIK3CD O00329 5/20 0.41
PIK3CB P42338 5/20 0.41
PIK3CG P48736 5/20 0.41
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.34
TGFBR1 P36897 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
SCHEMBL16613065 0.85 PIK3CA (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL166634 0.67 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL168187 0.67 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16613045 0.65 PIK3CA (0.35) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16613023 0.64 PIK3CA (0.45) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8666821 0.63 RECQL (0.54) ALDH1A1SMN1; SMN2MAPT
SCHEMBL29961184 0.62 RPS6KA5 (0.53) ALDH1A1MAPT
SCHEMBL3300423 0.62 RPS6KA5 (0.53) ALDH1A1MAPT
SCHEMBL167475 0.61 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL28850503 0.61 ALDH1A1 (0.63) 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
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP claimed