SCHEMBL19807794

SCHEMBL19807794

COc1cccc(C(=O)N2CC3CCN(Cc4c(-c5ccc(C(C)C)nc5)nc5ccccn45)C(C3)C2)n1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.60
▸ KCNK9 Q9NPC2 20/20 0.60

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
SCHEMBL19807484 0.89 KCNK3 (0.60) KCNK3KCNK9
SCHEMBL19807816 0.85 KCNK3 (0.71) KCNK3KCNK9
SCHEMBL29457968 0.85 KCNK3 (0.71) KCNK3KCNK9
SCHEMBL19807726 0.85 KCNK3 (0.57) KCNK3KCNK9
SCHEMBL29458095 0.79 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL22916182 0.79 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL22916205 0.78 KCNK3 (0.73) KCNK3KCNK9
SCHEMBL19807882 0.76 KCNK3 (0.78) KCNK3KCNK9
SCHEMBL19807719 0.76 KCNK3 (0.78) KCNK3KCNK9
SCHEMBL29432827 0.76 KCNK3 (0.78) 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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