SCHEMBL29839752

SCHEMBL29839752

COc1c[nH]c(=O)cc1-c1c(-n2cc(C(F)(F)F)nn2)ccc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 16/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ KLKB1 P03952 13/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ NOTUM Q6P988 2/20 0.36

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
SCHEMBL29839754 1.00 F11 (0.40) F11KLK1KLKB1CYP3A4F2
SCHEMBL27003502 1.00 F11 (0.40) F11KLK1KLKB1CYP3A4F2
SCHEMBL27228701 0.90 F11 (0.39) F11KLK1KLKB1CYP3A4F2
SCHEMBL31174097 0.88 F11 (0.38) F11KLK1KLKB1CYP3A4NOTUM
SCHEMBL21357414 0.83 F11 (0.51) F11KLKB1CYP3A4F2F10
SCHEMBL27003504 0.81 F11 (0.40) F11KLK1KLKB1CYP3A4F2
SCHEMBL29839755 0.81 F11 (0.40) F11KLK1KLKB1CYP3A4F2
SCHEMBL30590414 0.79 F11 (0.39) F11KLK1KLKB1CYP3A4F2
SCHEMBL31174073 0.78 F11 (0.40) F11KLK1NOTUM
SCHEMBL30325632 0.77 F11 (0.45) F11KLKB1CYP3A4F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4304561-A1 PHARMACEUTICAL DOSAGE FORMS COMPRISING (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5- DIOXO-14-(TRIFLUOROMETHYL)-32H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)- DIBENZENAHEPTAPHANE-74-CARBOXAMIDE Bayer Aktiengesellschaft (DE) 2024-01-17 — — EP disclosed
EP-4304714-A1 CRYSTALLINE FORMS OF (4S)-2 4-CHLORO-4-ETHYL-7 3-FLUORO-3 5-METHOXY-3 2,5-DIOXO-1 4-(TRIFLUOROMETHYL)-3 2H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-5 DIBENZENAHEPTAPHANE-7 4-CARBOXAMIDE Bayer Aktiengesellschaft (DE) 2024-01-17 — — EP disclosed
CN-117337170-A Comprises (4S) -2 4 -chloro-4-ethyl-7 3 -fluoro-3 5 -methoxy-3 2 5-dioxo-1 4 - (trifluoromethyl) -3 2 H-6-aza-3 (4, 1) -pyridine-1 (1) - [1,2,3]Triazole-2 (1, 2), 7 (1) -diphenyl heptatomato-7 4 Pharmaceutical dosage form of formamide 拜耳公司 2024-01-02 — — CN disclosed
CN-117015535-A (4S)-2 4 -chloro-4-ethyl-7 3 -fluoro-3 5 -methoxy-3 2 5-dioxo-1 4 - (trifluoromethyl) -3 2 H-6-aza-3 (4, 1) -pyridine-1 (1) - [1,2,3]Triazole-2 (1, 2), 7 (1) -5-diphenylheptane-7 4 Crystalline forms of formamide 拜耳公司 2023-11-07 — — CN disclosed
WO-2022189278-A1 PHARMACEUTICAL DOSAGE FORMS COMPRISING (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5- DIOXO-14-(TRIFLUOROMETHYL)-32H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)- DIBENZENAHEPTAPHANE-74-CARBOXAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2022-09-15 — — WO disclosed
WO-2022189279-A1 CRYSTALLINE FORMS OF (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5-DIOXO-14-(TRIFLUOROMETHYL)-32H-6-AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-5 DIBENZENAHEPTAPHANE-74-CARBOXAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2022-09-15 — — WO disclosed
WO-2022189280-A1 SOLVATES OF (4S)-24-CHLORO-4-ETHYL-73-FLUORO-35-METHOXY-32,5-DIOXO-14-(TRIFLUORO-METHYL)-32 H-6- AZA-3(4,1)-PYRIDINA-1(1)-[1,2,3]TRIAZOLA-2(1,2),7(1)-DIBENZENAHEPTAPHANE-74-CARBOXAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2022-09-15 — — WO disclosed
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