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Sugi Predict / Compounds / SCHEMBL16613146

SCHEMBL16613146

SCHEMBL16613146

Cc1nc(N)nc(-c2cc(C(C)N3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3cccnc3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 20/20 1.00
▸ MTOR P42345 13/20 1.00
▸ PIK3CD O00329 2/20 0.65
▸ PIK3R1 P27986 2/20 0.65
▸ PIK3CB P42338 2/20 0.65
▸ PIK3CG P48736 2/20 0.65

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
SCHEMBL7777063 1.00 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
Trifluoroacetic Acid SCHEMBL166609 0.94 PIK3CA (0.88) PIK3CAMTORPIK3CDPIK3R1PIK3CB
Trifluoroacetic Acid SCHEMBL166608 0.94 PIK3CA (0.88) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL165517 0.88 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL165518 0.88 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL166440 0.85 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL164446 0.84 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL164447 0.84 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL167040 0.83 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL167041 0.83 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3R1PIK3CB

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