SCHEMBL30122232

SCHEMBL30122232

CCSc1cc(C2(C#N)CC2)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.38
▸ PIK3C2A O00443 1/20 0.32
▸ PIK3C2B O00750 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PRKCE Q02156 1/20 0.31
▸ OPRM1 P35372 2/20 0.30

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
SCHEMBL21586227 1.00 CYP1A2 (0.38) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL21590012 0.94 CYP1A2 (0.36) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL21586204 0.88 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30970961 0.88 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL24696119 0.87 CYP1A2 (0.30) CYP1A2
SCHEMBL21589993 0.86 — —
SCHEMBL21590008 0.86 AGPAT2 (0.40) CYP1A2PIK3CAOPRM1
SCHEMBL17529570 0.83 CYP1A2 (0.36) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL17529564 0.83 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL31476269 0.83 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431377-A Pesticidally active heterocyclic derivatives with sulfoximine containing substituents 先正达农作物保护股份公司 2025-02-14 — — CN disclosed
EP-4347591-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2024-04-10 — — EP disclosed
WO-2022253841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-12-08 — — WO disclosed
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