SCHEMBL30995025

SCHEMBL30995025

Clc1ccc(-n2cc(Cl)nn2)c(-c2ncncc2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.39
▸ KCNH2 Q12809 2/20 0.36
▸ F11 P03951 11/20 0.35
▸ KLKB1 P03952 10/20 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
SCHEMBL28360405 0.88 F11 (0.36) NOTUMF11KLKB1
SCHEMBL31174046 0.81 NOTUM (0.43) NOTUMKCNH2F11KLKB1
SCHEMBL30995016 0.79 NOTUM (0.41) NOTUMKCNH2F11KLKB1
SCHEMBL30622090 0.79 F11 (0.40) NOTUMKCNH2F11KLKB1
SCHEMBL30271764 0.79 NOTUM (0.39) NOTUMKCNH2F11KLKB1
SCHEMBL16971868 0.79 NOTUM (0.39) NOTUMKCNH2F11KLKB1
SCHEMBL16971880 0.78 F11 (0.38) NOTUMF11KLKB1
SCHEMBL16971328 0.77 F11 (0.37) NOTUMF11KLKB1
SCHEMBL30271846 0.77 F11 (0.37) NOTUMF11KLKB1
SCHEMBL16971373 0.77 F11 (0.37) NOTUMKCNH2F11KLKB1

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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