SCHEMBL19807814

SCHEMBL19807814

COc1ccc(Cl)c(C(=O)N2CC3CCN(Cc4c(-c5ccc(Cl)cn5)nc5ccccn45)C(C3)C2)n1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.73
▸ KCNK9 Q9NPC2 20/20 0.73

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
SCHEMBL22001641 0.85 KCNK3 (0.73) KCNK3KCNK9
SCHEMBL29432694 0.85 KCNK3 (0.90) KCNK3KCNK9
SCHEMBL22636105 0.85 KCNK3 (0.90) KCNK3KCNK9
SCHEMBL20587843 0.85 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29432754 0.85 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22916205 0.84 KCNK3 (0.73) KCNK3KCNK9
SCHEMBL29458020 0.82 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22001713 0.82 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL19807892 0.80 KCNK3 (0.82) KCNK3KCNK9
SCHEMBL29458024 0.80 KCNK3 (0.82) KCNK3KCNK9

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
WO-2018015196-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 2018-01-25 — — WO disclosed
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