SCHEMBL24962319

SCHEMBL24962319

CCOC(=O)CC[C@H](C)Nc1cnn(Cc2ccc(OC)cc2)c(=O)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 13/20 0.44
▸ MCHR1 Q99705 1/20 0.41
▸ UCHL1 P09936 1/20 0.40
▸ RAF1 P04049 3/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ MET P08581 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MTOR P42345 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
SCHEMBL24763736 0.90 NPBWR1 (0.42) NPBWR1MCHR1UCHL1
SCHEMBL24962321 0.85 NPBWR1 (0.48) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL24640479 0.84 NPBWR1 (0.51) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL21521227 0.84 NPBWR1 (0.51) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL21521225 0.84 NPBWR1 (0.51) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL29841823 0.84 NPBWR1 (0.42) NPBWR1MCHR1UCHL1RAF1CCNB2
SCHEMBL29841862 0.84 NPBWR1 (0.42) NPBWR1MCHR1UCHL1RAF1CCNB2
SCHEMBL23304575 0.84 NPBWR1 (0.42) NPBWR1MCHR1UCHL1RAF1CCNB2
SCHEMBL23304574 0.84 NPBWR1 (0.42) NPBWR1MCHR1UCHL1RAF1CCNB2
SCHEMBL29841850 0.84 NPBWR1 (0.42) NPBWR1MCHR1UCHL1RAF1CCNB2

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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