SCHEMBL23966879

SCHEMBL23966879

CCOc1cc2[nH]c(Cc3nn(CC=O)c(=O)c4c3CCCC4)nc2cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 8/20 0.41
FGFR4 P22455 1/20 0.30
IDH1 O75874 1/20 0.30
CYP2C9 P11712 1/20 0.30
KDM5A P29375 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL23915323 0.88 S1PR2 (0.54) S1PR2IDH1
SCHEMBL23908995 0.82 S1PR2 (0.60) S1PR2IDH1
SCHEMBL23915007 0.78 S1PR2 (0.49) S1PR2FGFR4
SCHEMBL23914679 0.78 S1PR2 (0.56) S1PR2
SCHEMBL23908754 0.76 S1PR2 (0.67) S1PR2
SCHEMBL23915474 0.76 S1PR2 (0.41) S1PR2
SCHEMBL23915343 0.75 S1PR2 (0.58) S1PR2
SCHEMBL23908767 0.73 S1PR2 (0.75) S1PR2CYP2C9
SCHEMBL23915346 0.73 S1PR2 (0.55) S1PR2
SCHEMBL23966617 0.72 S1PR2 (0.51) S1PR2

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed