SCHEMBL24962320

SCHEMBL24962320

COc1ccc(Cn2ncc(N[C@@H](C)CCC=O)c(C(F)(F)F)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 14/20 0.48
▸ MCHR1 Q99705 1/20 0.42
▸ MAPK1 P28482 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PKM P14618 1/20 0.37
▸ PKLR P30613 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36

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
SCHEMBL30104870 0.91 NPBWR1 (0.46) NPBWR1MCHR1BRD4
SCHEMBL24687640 0.89 NPBWR1 (0.51) NPBWR1MCHR1MAPK1PKMPKLR
SCHEMBL24962321 0.88 NPBWR1 (0.48) NPBWR1MCHR1MAPK1L3MBTL1PKM
SCHEMBL24687647 0.87 NPBWR1 (0.49) NPBWR1MCHR1PKMPKLRBRD4
SCHEMBL21521227 0.87 NPBWR1 (0.51) NPBWR1MCHR1MAPK1PKMPKLR
SCHEMBL21521225 0.87 NPBWR1 (0.51) NPBWR1MCHR1MAPK1PKMPKLR
SCHEMBL24640479 0.87 NPBWR1 (0.51) NPBWR1MCHR1MAPK1PKMPKLR
SCHEMBL24687786 0.84 NPBWR1 (0.46) NPBWR1MCHR1MAPK1PKMPKLR
SCHEMBL24962319 0.84 NPBWR1 (0.44) NPBWR1MCHR1MAPK1PKM
SCHEMBL24467751 0.83 NPBWR1 (0.46) NPBWR1MCHR1MAPK1

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-2023001247-A1 PYRIDAZINONE COMPOUND 南京明德新药研发有限公司 2023-01-26 — — WO disclosed
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