SCHEMBL29697761

SCHEMBL29697761

COc1cc(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)c(OC)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 19/20 0.49
▸ KLKB1 P03952 17/20 0.49
▸ CYP3A4 P08684 4/20 0.48
▸ F2 P00734 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ CYP1A1 P04798 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ CYP2C8 P10632 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ NR1I2 O75469 1/20 0.40

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
SCHEMBL21357595 1.00 F11 (0.49) F11KLKB1CYP3A4F2F10
SCHEMBL29227916 0.90 F11 (0.48) F11KLKB1CYP3A4F2F10
SCHEMBL30995017 0.90 F11 (0.48) F11KLKB1CYP3A4F2F10
SCHEMBL30995015 0.90 F11 (0.48) F11KLKB1CYP3A4F2F10
SCHEMBL29479366 0.86 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL21357425 0.86 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL30623106 0.84 F11 (0.48) F11KLKB1CYP3A4F2F10
SCHEMBL30656519 0.84 F11 (0.39) F11KLKB1CYP3A4NR1I2
SCHEMBL29089482 0.84 F11 (0.39) F11KLKB1CYP3A4NR1I2
SCHEMBL24633281 0.83 F11 (0.50) F11KLKB1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111770917-B Process for the preparation of two compounds 拜耳股份公司 2023-09-26 — — CN claimed
EP-3765452-B1 PREPARATIVE PROCESS OF TWO 4-{[(2S)-2-{4-[5-CHLORO-2-(1H-1,2,3-TRIAZOL-1-YL)PHENYL]-5-METHOXY-2-OXOPYRIDIN-1(2H)-YL}BUTANOYL]AMINO}-2-FLUOROBENZAMIDE DERIVATIVES BAYER AG (DE) 2022-04-13 — — EP claimed
CN-118406037-B Triazole derivative and preparation method and application thereof 四川师范大学 2025-02-25 — — CN disclosed
CN-116283750-B Heterocyclic amide derivative and preparation method and application thereof 成都泰和伟业生物科技有限公司 2025-02-07 — — CN disclosed
CN-118406037-A Triazole derivative and preparation method and application thereof 四川师范大学 2024-07-30 — — CN disclosed
CN-116903585-A Oxo-pyridine derivative and application thereof in medicine 天津药物研究院有限公司 2023-10-20 — — CN disclosed
CN-111770917-B Process for the preparation of two compounds 拜耳股份公司 2023-09-26 — — CN disclosed
CN-116283750-A Heterocyclic amide derivative and preparation method and application thereof 成都泰和伟业生物科技有限公司 2023-06-23 — — CN disclosed
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