SCHEMBL25986483

SCHEMBL25986483

Cn1c(=O)c(C(=O)NCc2ccc(C#N)cc2)cc2ccnc(OCC3(S(=N)(N)=O)CC3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 5/20 0.37
▸ MAPK9 P45984 5/20 0.37
▸ CSF1R P07333 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ PRKD2 Q9BZL6 3/20 0.37
▸ AKT1 P31749 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ KLK1 P06870 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA7 P43166 3/20 0.35
▸ CA4 P22748 2/20 0.34
▸ CA5A P35218 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
SCHEMBL30539604 0.94 MAPK8 (0.38) MAPK8MAPK9CSF1RMAPK1PRKD2
SCHEMBL25346739 0.94 MAPK8 (0.38) MAPK8MAPK9CSF1RMAPK1PRKD2
SCHEMBL25986644 0.93 AKR1B1 (0.39) MAPK8MAPK9CSF1RMAPK1PRKD2
SCHEMBL25985568 0.92 AKR1B1 (0.38) MAPK8MAPK9CSF1RMAPK1PRKD2
SCHEMBL25986560 0.91 CNR2 (0.36) MAPK8MAPK9CSF1RMAPK1PRKD2
SCHEMBL30539660 0.91 CNR2 (0.37) MAPK8MAPK9CSF1RMAPK1PRKD2
SCHEMBL25347811 0.91 CNR2 (0.37) MAPK8MAPK9CSF1RMAPK1PRKD2
SCHEMBL25344698 0.91 CNR2 (0.38) MAPK8MAPK9CSF1RMAPK1PRKD2
SCHEMBL30539733 0.91 AKR1B1 (0.39) MAPK8MAPK9CSF1RMAPK1PRKD2
SCHEMBL25350030 0.91 AKR1B1 (0.39) MAPK8MAPK9CSF1RMAPK1PRKD2

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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