SCHEMBL30752475

SCHEMBL30752475

Clc1ccc(-n2cc(Cl)nn2)c(-c2ccnc3c2OCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 16/20 0.36
▸ KLKB1 P03952 11/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ KCNH2 Q12809 3/20 0.34
▸ MAPK13 O15264 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL30752470 0.83 NOTUM (0.36) F11KLKB1NOTUMKCNH2
SCHEMBL30752476 0.78 F11 (0.37) F11KLKB1NOTUM
SCHEMBL29186014 0.78 F11 (0.37) F11KLKB1NOTUM
SCHEMBL30752477 0.74 F11 (0.41) F11KLKB1NOTUMKCNH2
SCHEMBL30995016 0.71 NOTUM (0.41) F11KLKB1NOTUMKCNH2
SCHEMBL30995046 0.69 F11 (0.41) F11KLKB1NOTUMKCNH2
SCHEMBL30995002 0.69 FLT3 (0.46) F11KLKB1NOTUMKCNH2MAPK14
SCHEMBL30622090 0.69 F11 (0.40) F11KLKB1NOTUMKCNH2CSNK1D
SCHEMBL28360881 0.68 NOTUM (0.39) F11KLKB1NOTUMKCNH2
SCHEMBL29589409 0.68 NOTUM (0.39) F11KLKB1NOTUMKCNH2

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-117586284-A Macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-02-23 — — CN disclosed
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