SCHEMBL29907161

SCHEMBL29907161

COc1cc2c(nc1-c1cccc3c1CCC3C#N)c(-c1ccc(Cl)nc1)nn2COCC[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.32
DGAT1 O75907 2/20 0.31
CD274 Q9NZQ7 2/20 0.30
CHEK1 O14757 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
SCHEMBL23210858 1.00 S1PR1 (0.32) S1PR1DGAT1CD274CHEK1
SCHEMBL23211014 0.87 DGAT1 (0.30) S1PR1DGAT1
SCHEMBL29907130 0.87 DGAT1 (0.30) S1PR1DGAT1
SCHEMBL23210980 0.86 S1PR1 (0.32) S1PR1
SCHEMBL29907117 0.82 KDM1A (0.36) DGAT1
SCHEMBL23211098 0.82 KDM1A (0.36) DGAT1
SCHEMBL29907115 0.81 DGAT1 (0.35) S1PR1DGAT1CHEK1
SCHEMBL23210803 0.81 DGAT1 (0.35) S1PR1DGAT1CHEK1
SCHEMBL23264044 0.77 CHEK1 (0.41) S1PR1CHEK1
SCHEMBL30308806 0.77 TBK1 (0.35)

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-4045151-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS Incyte Corporation (US) 2022-08-24 EP disclosed