SCHEMBL18506068

SCHEMBL18506068

CCSc1ccc(-n2cc(C(F)(F)F)cn2)nc1-c1nc2cc(C(F)(F)F)ccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.39
▸ DDR1 Q08345 2/20 0.36
▸ AGPAT2 O15120 1/20 0.36
▸ CNR2 P34972 3/20 0.32
▸ SLC34A1 Q06495 3/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ KIT P10721 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTR3B O95264 1/20 0.31
▸ TP53 P04637 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
SCHEMBL24045230 0.88 PDE10A (0.35) PDE10ADDR1SLC34A1EGLN1
SCHEMBL18506150 0.86 POLB (0.43) PDE10ADDR1SLC34A1EGLN1POLB
SCHEMBL18506069 0.83 AGPAT2 (0.41) PDE10ADDR1AGPAT2CNR2GRM2
SCHEMBL18498843 0.82 PDE10A (0.38) PDE10ADDR1AGPAT2EGLN1KIT
SCHEMBL18506070 0.82 AGPAT2 (0.39) PDE10ADDR1AGPAT2CNR2GRM2
SCHEMBL23934171 0.81 PDE10A (0.38) PDE10AAGPAT2CNR2SLC34A1GRM2
SCHEMBL18357970 0.81 DDR1 (0.34) PDE10ADDR1SLC34A1EGLN1
SCHEMBL14678088 0.79 POLB (0.40) PDE10ADDR1AGPAT2CNR2GRM2
SCHEMBL14677508 0.78 HTR2B (0.39) PDE10ADDR1AGPAT2CNR2GRM2
SCHEMBL9280305 0.77 AGPAT2 (0.38) PDE10ADDR1AGPAT2CNR2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331870-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-06-16 — — EP disclosed
WO-2017025419-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 — — WO disclosed
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