SCHEMBL23966608

SCHEMBL23966608

O=C(Cc1nn(Cc2nc3cc(OCC4CC4)c(Br)cc3[nH]2)c2ccccc2c1=O)N1CC[C@@H](O)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 19/20 0.46
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL23908763 0.92 S1PR2 (0.47) S1PR2
SCHEMBL23908812 0.88 S1PR2 (0.57) S1PR2
SCHEMBL23915593 0.86 S1PR2 (0.49) S1PR2
SCHEMBL23908804 0.83 S1PR2 (0.46) S1PR2
SCHEMBL23908883 0.78 S1PR2 (0.56) S1PR2
SCHEMBL23915485 0.76 S1PR2 (0.48) S1PR2
SCHEMBL23908815 0.73 S1PR2 (0.62) S1PR2
SCHEMBL23909015 0.71 S1PR2 (0.47) S1PR2
SCHEMBL23909004 0.71 S1PR2 (0.63) S1PR2
SCHEMBL23908997 0.70 S1PR2 (0.47) 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