SCHEMBL12166247

SCHEMBL12166247

CN1CCN(Cc2cc3nc(-c4ccc5cn[nH]c5c4)nc(N)c3s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.50
DDR2 Q16832 3/20 0.43
PIK3CD O00329 6/20 0.42
PIK3CG P48736 5/20 0.42
PIK3CB P42338 5/20 0.42
ROCK2 O75116 1/20 0.42
MTOR P42345 6/20 0.41
PIK3C2A O00443 1/20 0.40
PLK4 O00444 1/20 0.40
PIK3R2 O00459 1/20 0.40
PIK3C2B O00750 1/20 0.40
GAK O14976 1/20 0.40
EPHB6 O15197 1/20 0.40
DAPK3 O43293 1/20 0.40
STK16 O75716 1/20 0.40
PIK3C2G O75747 1/20 0.40
NTRK1 P04629 1/20 0.40
NQO2 P16083 1/20 0.40
CSNK2A2 P19784 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL190405 0.84 PIK3CA (0.71) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1309797 0.72 PIK3CA (0.64) PIK3CAPIK3CDPIK3CGPIK3CBROCK2
SCHEMBL12807329 0.70 PIK3CA (0.76) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL12166267 0.70 PIK3CD (0.61) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL190642 0.69 PIK3CA (0.70) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL12166256 0.69 PIK3CD (0.78) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL12166271 0.68 PIK3CD (0.58) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL12166370 0.68 PIK3CA (0.59) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL12166192 0.68 PIK3CD (0.59) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL190632 0.67 PIK3CA (0.67) PIK3CAPIK3CDPIK3CGPIK3CBMTOR

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-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP disclosed