SCHEMBL31252433

SCHEMBL31252433

O=c1nccc(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)nn2)n1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 20/20 0.40
▸ KLKB1 P03952 16/20 0.40
▸ 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
▸ KLK1 P06870 1/20 0.35

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
SCHEMBL31252410 0.89 F11 (0.42) F11KLKB1CYP3A4F2F10
SCHEMBL31252199 0.79 F11 (0.42) F11KLKB1CYP3A4F2F10
SCHEMBL16971695 0.75 F11 (0.39) F11KLKB1CYP3A4F2F10
SCHEMBL28495547 0.74 F11 (0.40) F11KLKB1CYP3A4F2F10
SCHEMBL31252407 0.74 F11 (0.44) F11KLKB1CYP3A4F2F10
SCHEMBL24633397 0.73 F11 (0.43) F11KLKB1CYP3A4F2F10
SCHEMBL30752491 0.73 F11 (0.38) F11KLKB1CYP3A4F2F10
SCHEMBL30995055 0.73 F11 (0.40) F11KLKB1CYP3A4F2F10
SCHEMBL30995013 0.73 F11 (0.40) F11KLKB1CYP3A4F2F10
SCHEMBL29227919 0.73 F11 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894901-A Polysubstituted macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2025-04-25 — — CN disclosed
WO-2025002297-A1 POLYSUBSTITUTED MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳信立泰药业股份有限公司 2025-01-02 — — WO disclosed
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