SCHEMBL25992028

SCHEMBL25992028

COCNSC1(COc2nccc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ KLKB1 P03952 1/20 0.34
▸ KLK1 P06870 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ROS1 P08922 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ EGLN1 Q9GZT9 4/20 0.33
▸ EGLN2 Q96KS0 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ ELANE P08246 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
SCHEMBL25991986 0.94 CNR2 (0.37) CNR2AKR1B1KLKB1KLK1KCNH2
SCHEMBL25991844 0.93 CNR2 (0.37) CNR2AKR1B1KLKB1KLK1KCNH2
SCHEMBL25991673 0.91 AKR1B1 (0.38) CNR2AKR1B1KLKB1KLK1KCNH2
SCHEMBL25991878 0.90 AKR1B1 (0.37) CNR2AKR1B1KLKB1KLK1KCNH2
SCHEMBL25991776 0.90 CNR2 (0.39) CNR2AKR1B1KLKB1KLK1KCNH2
SCHEMBL25992162 0.89 AKR1B1 (0.36) CNR2AKR1B1KLKB1KLK1KCNH2
SCHEMBL25991409 0.89 KLKB1 (0.39) CNR2AKR1B1KLKB1KLK1KCNH2
SCHEMBL25993130 0.88 CNR2 (0.36) CNR2AKR1B1KLKB1KLK1KCNH2
SCHEMBL25992229 0.88 AKR1B1 (0.39) CNR2AKR1B1KLKB1KLK1KCNH2
SCHEMBL25991692 0.87 AKR1B1 (0.37) CNR2AKR1B1KLKB1KLK1KCNH2

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-2023154905-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-08-17 — — WO disclosed
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