SCHEMBL30404283

SCHEMBL30404283

Cn1ncc2c(F)c(C=O)c(F)cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.33
PKM P14618 3/20 0.33
PKLR P30613 2/20 0.33
ERN1 O75460 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A2 O94788 1/20 0.31
ALDH1A3 P47895 1/20 0.31
MAOB P27338 1/20 0.31
PTGER3 P43115 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1161211 1.00 MET (0.33) METPKMPKLRERN1ALDH1A1
SCHEMBL12352391 0.76 ADORA2A (0.34) METPKMPKLRALDH1A1HTT
SCHEMBL614969 0.73 MET (0.38) METALDH1A1HTTSMN1; SMN2ALDH1A2
SCHEMBL31019564 0.72 CYP2A6 (0.40) PKMPKLRALDH1A1HTTKDM4E
SCHEMBL10257050 0.72 MET (0.41) MET
SCHEMBL22445994 0.72 MET (0.40) METALDH1A1HTTSMN1; SMN2MAOB
SCHEMBL26790472 0.71 MET (0.32) MET
SCHEMBL30263424 0.71 MET (0.32) MET
SCHEMBL30251382 0.69 ALDH1A1 (0.42) PKMALDH1A1SMN1; SMN2KDM4E
SCHEMBL1160915 0.69 MAOB (0.39) ERN1ALDH1A1MAOBKDM4E

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
CN-116096707-A Inhibitors of fibroblast growth factor receptor kinase 金耐特生物制药公司 2023-05-09 CN disclosed