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Sugi Predict / Compounds / SCHEMBL19251607

SCHEMBL19251607

SCHEMBL19251607

CC(Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 17/20 1.00
▸ PIK3R1 P27986 16/20 1.00
▸ PIK3CG P48736 8/20 1.00
▸ PIK3CB P42338 7/20 1.00
▸ PIK3CA P42336 4/20 1.00
▸ PIK3R2 O00459 5/20 0.48

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
SCHEMBL19252626 1.00 PIK3CD (1.00) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251399 0.90 PIK3R1 (1.00) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251389 0.87 PIK3R1 (1.00) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251387 0.82 PIK3R1 (0.77) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251487 0.81 PIK3R1 (0.82) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19252624 0.81 PIK3R1 (0.82) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251479 0.80 PIK3R1 (0.71) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251407 0.79 PIK3CD (1.00) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19252987 0.79 PIK3CD (0.65) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251635 0.79 PIK3R1 (0.79) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA

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-2017133655-A1 BENZOTHIAZINE AND BENZOTHIADIAZINE COMPOUNDS AND PREPARATION AND USE 浙江大学 2017-08-10 — — WO disclosed