SCHEMBL19720598

SCHEMBL19720598

COC(=O)c1cc(C#N)c(N(N)C2CCCCN(C(=O)OC(C)(C)C)C2)c(N=NN)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GPR119 Q8TDV5 11/20 0.36
▸ USP30 Q70CQ3 3/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ LCK P06239 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PDE4B Q07343 1/20 0.33

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
SCHEMBL19720602 0.84 HPGD (0.39) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL19720600 0.76 ALDH1A1 (0.37) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL19720566 0.75 USP30 (0.35) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL16903327 0.74 USP30 (0.42) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL19720620 0.72 MEN1 (0.35) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL19720435 0.71 CYP2C9 (0.41) GPR119USP30
SCHEMBL19190253 0.70 ALDH1A1 (0.38) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL19190254 0.69 HPGD (0.41) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL15506212 0.66 ESR2 (0.50) MEN1MAPTKMT2AGPR119USP30
SCHEMBL19720586 0.66 USP30 (0.43) MEN1ALDH1A1MAPTKMT2AGPR119

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-3257848-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY Novartis AG (CH) 2017-12-20 — — EP disclosed
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