SCHEMBL21610494

SCHEMBL21610494

CC[S+]([O-])c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cccc(N3CCOCC3)n2)n1C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 4/20 0.33
▸ PIM3 Q86V86 2/20 0.33
▸ PIM2 Q9P1W9 2/20 0.33
▸ RAF1 P04049 4/20 0.33
▸ BRAF P15056 4/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ PIK3CB P42338 4/20 0.32
▸ PIK3R1 P27986 2/20 0.32
▸ MTOR P42345 4/20 0.31
▸ PIK3CA P42336 3/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ MET P08581 1/20 0.31
▸ PIK3CD O00329 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ PIK3C2B O00750 1/20 0.31
▸ SMG1 Q96Q15 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31

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
SCHEMBL21610558 0.85 RAF1 (0.35) PIM1PIM3PIM2RAF1BRAF
SCHEMBL23353555 0.85 PIK3CA (0.35) PIM1PIM3PIM2RAF1BRAF
SCHEMBL21610557 0.76 POLB (0.33) —
SCHEMBL21610489 0.76 DGAT1 (0.34) PIK3R1PIK3CD
SCHEMBL21610495 0.75 PIK3CD (0.32) PIK3CD
SCHEMBL24701750 0.73 MEN1 (0.34) —
SCHEMBL21610560 0.73 POLB (0.31) —
SCHEMBL21610526 0.73 CYP1A2 (0.31) MTORPIK3CAPIK3C2B
SCHEMBL14684597 0.72 POLB (0.35) —
SCHEMBL29431621 0.72 POLB (0.35) —

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-2020002082-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 — — WO disclosed
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