SCHEMBL20828291

SCHEMBL20828291

CNCCNc1cccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5cccc(N6CCN(C)CC6)c5)s4)C3)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 17/20 0.54
▸ MAPT P10636 1/20 0.44
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL15725187 0.91 GLS (0.66) GLSMAPT
SCHEMBL20828348 0.91 GLS (0.66) GLSMAPT
SCHEMBL15725195 0.84 GLS (0.70) GLSMAPTMEN1KMT2A
SCHEMBL15725186 0.84 GLS (0.70) GLSMAPTMEN1KMT2A
SCHEMBL20828320 0.84 GLS (0.70) GLSMAPTMEN1KMT2A
SCHEMBL15725189 0.81 GLS (0.66) GLSMAPTMEN1KMT2A
SCHEMBL15725188 0.81 GLS (0.66) GLSMAPTMEN1KMT2A
SCHEMBL15725165 0.80 GLS (0.70) GLSMEN1KMT2A
SCHEMBL20392384 0.80 GLS (0.70) GLSMEN1KMT2A
SCHEMBL15725197 0.80 GLS (0.73) GLSMEN1KMT2A

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-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 — — EP disclosed
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