SCHEMBL30539556

SCHEMBL30539556

Cn1c(=O)c(C(=O)NCc2ccc(C#N)cc2)cc2ccnc(Cl)c21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.48
▸ ABCB1 P08183 1/20 0.45
▸ KLKB1 P03952 1/20 0.45
▸ KLK1 P06870 1/20 0.45
▸ CNR2 P34972 4/20 0.42
▸ EGLN2 Q96KS0 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ CNR1 P21554 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL25346972 1.00 AKR1B1 (0.48) AKR1B1ABCB1KLKB1KLK1CNR2
SCHEMBL30539557 0.88 AKR1B1 (0.43) AKR1B1ABCB1KLKB1KLK1CNR2
SCHEMBL25348145 0.88 AKR1B1 (0.43) AKR1B1ABCB1KLKB1KLK1CNR2
SCHEMBL30539591 0.83 MAPK8 (0.44) AKR1B1ABCB1KLKB1KLK1CNR2
SCHEMBL30539678 0.81 AKR1B1 (0.44) AKR1B1ABCB1KLKB1KLK1CNR2
SCHEMBL25348421 0.81 AKR1B1 (0.44) AKR1B1ABCB1KLKB1KLK1CNR2
SCHEMBL25984911 0.80 CNR2 (0.37) AKR1B1ABCB1KLKB1KLK1CNR2
SCHEMBL25350030 0.80 AKR1B1 (0.39) AKR1B1ABCB1KLKB1KLK1CNR2
SCHEMBL30539733 0.80 AKR1B1 (0.39) AKR1B1ABCB1KLKB1KLK1CNR2
SCHEMBL25991776 0.79 CNR2 (0.39) AKR1B1ABCB1KLKB1KLK1CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4479388-A1 ANTIVIRAL NAPHTHYRIDINONE COMPOUNDS Gilead Sciences, Inc. (US) 2024-12-25 — — EP disclosed
WO-2023154905-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-08-17 — — WO disclosed
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