SCHEMBL21940269

SCHEMBL21940269

Cc1cc(C#N)nnc1-c1c[nH]nc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 2/20 0.34
▸ MAPT P10636 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ HTT P42858 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
SCHEMBL20606889 0.77 IKBKB (0.34) MAPTXBP1HTT
SCHEMBL21940280 0.77 S1PR2 (0.33) S1PR2
SCHEMBL20606887 0.76 S1PR2 (0.50) S1PR2HTT
SCHEMBL21940475 0.73 S1PR2 (0.42) S1PR2HTT
SCHEMBL21940282 0.71 S1PR2 (0.41) S1PR2HTT
SCHEMBL16301303 0.66 HSP90AB1 (0.40) MAPTHTT
SCHEMBL26067064 0.66 NOTUM (0.49) HTT
SCHEMBL2195834 0.66 HTT (0.31) HTT
SCHEMBL29314750 0.65 HSP90AB1 (0.39) —
SCHEMBL3454150 0.65 DPYD (0.31) MAPT

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-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 — — EP disclosed
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