SCHEMBL24639953

SCHEMBL24639953

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 12/20 0.43
▸ MCHR1 Q99705 1/20 0.38
▸ RAF1 P04049 3/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MET P08581 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ MAPK8 P45983 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
SCHEMBL24639962 1.00 NPBWR1 (0.43) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL24639955 1.00 NPBWR1 (0.43) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL24639950 0.94 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL24640391 0.94 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL24639951 0.94 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL24640392 0.90 NPBWR1 (0.44) NPBWR1MCHR1
SCHEMBL21522522 0.90 NPBWR1 (0.44) NPBWR1MCHR1
SCHEMBL21522519 0.90 NPBWR1 (0.44) NPBWR1MCHR1
SCHEMBL24763905 0.87 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL23297051 0.86 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2

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-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 — — WO disclosed
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