SCHEMBL30995028

SCHEMBL30995028

COc1cnccc1-c1cc(Cl)ccc1-n1cc(Cl)nn1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 20/20 0.47
▸ KLKB1 P03952 19/20 0.47
▸ CYP3A4 P08684 2/20 0.44

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
SCHEMBL30623106 0.85 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL30995016 0.84 NOTUM (0.41) F11KLKB1CYP3A4
SCHEMBL29479366 0.82 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL21357425 0.82 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL30995046 0.81 F11 (0.41) F11KLKB1CYP3A4
SCHEMBL30499861 0.81 F11 (0.48) F11KLKB1
SCHEMBL31010491 0.78 F11 (0.42) F11KLKB1CYP3A4
SCHEMBL30752472 0.77 F11 (0.42) F11KLKB1CYP3A4
SCHEMBL29186018 0.77 F11 (0.42) F11KLKB1CYP3A4
SCHEMBL30995002 0.77 FLT3 (0.46) F11KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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