SCHEMBL18015922

SCHEMBL18015922

CCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)cn2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.35
▸ DDR1 Q08345 6/20 0.33
▸ USP1 O94782 1/20 0.33
▸ SLC34A1 Q06495 3/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ PTGS2 P35354 2/20 0.30
▸ PTGS1 P23219 1/20 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
SCHEMBL19762758 0.92 PDE10A (0.35) PDE10ADDR1USP1SLC34A1EGLN1
SCHEMBL18498843 0.88 PDE10A (0.38) PDE10ADDR1EGLN1RORCS1PR1
SCHEMBL17949562 0.87 SMN1; SMN2 (0.32) DDR1CNR2KCNH2
SCHEMBL17949386 0.86 PDE10A (0.35) PDE10ADDR1CNR2KCNH2
SCHEMBL21020024 0.86 DDR1 (0.33) PDE10ADDR1CNR2KCNH2
SCHEMBL20465862 0.85 PTGER4 (0.34) DDR1CNR2KCNH2
SCHEMBL19366981 0.85 EGLN1 (0.33) PDE10ADDR1USP1EGLN1RORC
SCHEMBL17949520 0.84 DDR1 (0.35) DDR1
SCHEMBL21020026 0.84 KCNH2 (0.33) DDR1CNR2KCNH2
SCHEMBL18498626 0.84 POLB (0.41) PDE10ADDR1USP1SLC34A1EGLN1

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
EP-3253210-B1 2-(HET) ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-11-24 — — EP disclosed
CN-107428764-B 2- (hetero) aryl-substituted fused bicyclic heterocyclic derivatives as pest control agents 拜耳作物科学股份公司 2020-09-11 — — CN disclosed
WO-2016124563-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHSAFT (DE) 2016-08-11 — — WO disclosed
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