SCHEMBL19807614

SCHEMBL19807614

COc1cccc(C(=O)N2C[C@@H]3CC[C@H]2CCN3Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)n1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.84
▸ KCNK9 Q9NPC2 20/20 0.84

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
SCHEMBL29457978 0.94 KCNK3 (0.90) KCNK3KCNK9
SCHEMBL19807875 0.94 KCNK3 (0.90) KCNK3KCNK9
SCHEMBL29432653 0.94 KCNK3 (0.90) KCNK3KCNK9
SCHEMBL22636017 0.94 KCNK3 (0.90) KCNK3KCNK9
SCHEMBL29432766 0.92 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL22001695 0.92 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL19807868 0.89 KCNK3 (0.85) KCNK3KCNK9
SCHEMBL22636262 0.87 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL29458070 0.87 KCNK3 (0.79) KCNK3KCNK9
SCHEMBL29432680 0.87 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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