SCHEMBL24633462

SCHEMBL24633462

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 20/20 0.46
▸ KLKB1 P03952 19/20 0.46
▸ CYP3A4 P08684 3/20 0.46

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
SCHEMBL30994984 0.88 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL29227906 0.88 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL29479366 0.87 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL21357425 0.87 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL29227916 0.87 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL30995015 0.87 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL30995017 0.87 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL24633359 0.84 F11 (0.46) F11KLKB1CYP3A4
SCHEMBL24633358 0.84 F11 (0.44) F11KLKB1CYP3A4
SCHEMBL30752472 0.82 F11 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852163-A Macrocyclic compound containing heteroatoms, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-10-29 — — CN disclosed
CN-118126046-A Substituted macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-06-04 — — CN disclosed
WO-2022222960-A1 FXIA INHIBITOR AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND USE THEREOF 上海美悦生物科技发展有限公司 2022-10-27 — — WO disclosed
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