SCHEMBL26134016

SCHEMBL26134016

NC(=O)c1cn(CF)nc1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.36
▸ PARP1 P09874 2/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ PARP3 Q9Y6F1 1/20 0.33

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
SCHEMBL2733461 0.87 KLKB1 (0.36) KLKB1PARP1PARP2PARP3
SCHEMBL26133925 0.85 L3MBTL1 (0.40) KLKB1PARP1PARP2PARP3
SCHEMBL26135903 0.80 ADORA3 (0.36) KLKB1PARP1PARP2PARP3
SCHEMBL26135704 0.80 ADORA3 (0.36) KLKB1PARP1PARP2PARP3
SCHEMBL345169 0.79 ADORA2A (0.37) KLKB1PARP1PARP2PARP3
Hydrochloric Acid SCHEMBL31096988 0.78 ADORA2A (0.36) KLKB1PARP1PARP2PARP3
Thiourea SCHEMBL28847920 0.75 GAA (0.36) KLKB1PARP1PARP2PARP3
SCHEMBL28214209 0.74 ADRA1D (0.48) KLKB1PARP1PARP2
SCHEMBL28859320 0.73 PARP1 (0.44) PARP1
SCHEMBL29002480 0.72 NNMT (0.35) PARP1

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-4499632-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2025-02-05 — — EP disclosed
CN-119095839-A Quinoline derivatives as modulators and related products of Mas-associated G protein receptor X2 伊赛恩特制药公司 2024-12-06 — — CN disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 — — WO disclosed
Send feedback