SCHEMBL23899176

SCHEMBL23899176

Cn1ccc2c(C=N)cccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ BRD4 O60885 9/20 0.39
▸ TP53 P04637 3/20 0.38
▸ MAPT P10636 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ BRD7 Q9NPI1 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ PTPN1 P18031 2/20 0.34

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
SCHEMBL31251323 0.84 GAA (0.53) GAABRD4TP53MAPTL3MBTL1
SCHEMBL23899066 0.84 GAA (0.53) GAABRD4TP53MAPTL3MBTL1
Cyanide SCHEMBL25406275 0.75 GAA (0.44) GAABRD4TP53MAPTL3MBTL1
SCHEMBL13833580 0.74 GAA (0.57) GAABRD4TP53MAPTL3MBTL1
SCHEMBL8063482 0.73 GAA (0.56) GAABRD4TP53MAPTL3MBTL1
SCHEMBL5140683 0.73 GAA (0.56) GAABRD4TP53MAPTL3MBTL1
SCHEMBL8268239 0.73 GAA (0.56) GAABRD4TP53MAPTL3MBTL1
SCHEMBL30529453 0.73 GAA (0.56) GAABRD4TP53MAPTL3MBTL1
SCHEMBL15519326 0.73 GAA (0.56) GAABRD4TP53MAPTL3MBTL1
SCHEMBL28702896 0.73 GAA (0.56) GAABRD4TP53MAPTL3MBTL1

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-2021202688-A1 PROCESS FOR PREPARING A COT INHIBITOR COMPOUND GILEAD SCIENCES, INC. (US) 2021-10-07 — — WO disclosed
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