SCHEMBL23966617

SCHEMBL23966617

CC(F)(F)COc1cc2nc(Cc3nn(CC=O)c(=O)c4ccccc34)[nH]c2cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.51
QPCT Q16769 2/20 0.35
AR P10275 1/20 0.32
AKR1B1 P15121 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
SCHEMBL23908936 0.83 S1PR2 (0.67) S1PR2QPCT
SCHEMBL23915473 0.83 S1PR2 (0.67) S1PR2AKR1B1
SCHEMBL23908969 0.77 S1PR2 (0.67) S1PR2
SCHEMBL23909089 0.77 S1PR2 (0.78) S1PR2AKR1B1
SCHEMBL23966579 0.76 S1PR2 (0.75) S1PR2
SCHEMBL23908794 0.76 S1PR2 (0.62) S1PR2AKR1B1
SCHEMBL23908767 0.75 S1PR2 (0.75) S1PR2
SCHEMBL23908744 0.75 S1PR2 (0.80) S1PR2AKR1B1
SCHEMBL23966612 0.75 S1PR2 (0.58) S1PR2
SCHEMBL23908861 0.73 S1PR2 (0.76) S1PR2AKR1B1

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