SCHEMBL23966863

SCHEMBL23966863

CCn1nc(Cc2nc3cc(Cl)c(OCC(F)F)cc3[nH]2)c2ccc(C#N)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.60
IDH1 O75874 1/20 0.33
RHEB Q15382 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PDE5A O76074 2/20 0.31
CNR2 P34972 1/20 0.31
TPH1 P17752 1/20 0.31
TPH2 Q8IWU9 1/20 0.31
PDE6C P51160 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
SCHEMBL23908858 0.89 S1PR2 (0.75) S1PR2GRIN1GRIN2B
SCHEMBL23914638 0.85 S1PR2 (0.80) S1PR2RHEB
SCHEMBL23908851 0.85 S1PR2 (0.64) S1PR2IDH1RHEB
SCHEMBL23908801 0.82 S1PR2 (0.67) S1PR2RHEBGRIN1GRIN2B
SCHEMBL23908734 0.80 S1PR2 (0.69) S1PR2IDH1RHEB
SCHEMBL23908887 0.79 S1PR2 (0.94) S1PR2
SCHEMBL23909124 0.78 S1PR2 (0.56) S1PR2RHEBPDE5A
SCHEMBL23914694 0.76 S1PR2 (0.76) S1PR2
SCHEMBL23908740 0.74 S1PR2 (0.67) S1PR2
SCHEMBL23908861 0.73 S1PR2 (0.76) 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