SCHEMBL2856060

SCHEMBL2856060

Cc1nc(-c2ccc(OC(C)C)cc2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ BTK Q06187 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ ABCG2 Q9UNQ0 3/20 0.36
▸ LIMK1 P53667 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ABCC1 P33527 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34

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
SCHEMBL1322906 0.85 MAPT (0.51) MAPTKMT2AMEN1PARP10BTK
SCHEMBL5806520 0.84 MAPT (0.45) MAPTKMT2AMEN1TP53ABCG2
SCHEMBL5808461 0.84 MAPT (0.57) MAPTKMT2AMEN1TP53GAA
SCHEMBL5806526 0.84 MAPT (0.44) MAPTKMT2AMEN1TP53ABCG2
SCHEMBL5808459 0.83 MEN1 (0.46) MAPTKMT2AMEN1TP53KDM4E
SCHEMBL5816926 0.83 MAPT (0.43) MAPTKMT2AMEN1TP53GAA
SCHEMBL5808457 0.83 MAPT (0.43) MAPTKMT2AMEN1TP53GAA
SCHEMBL5809433 0.82 MEN1 (0.43) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL5820468 0.82 MAPT (0.45) MAPTKMT2AMEN1TP53MCL1
SCHEMBL5806498 0.76 MAPT (0.43) MAPTKMT2AMEN1BTKGAA

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-1773840-B1 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3',2':4,5]FURO[3,2-D]-PYRIMIDINES FOR USE AS INHIBITORS OF PDA-4 AND/OR TNF-ALPHA RELEASE MEDICINES CO LEIPZIG GMBH (DE) 2010-01-20 — — EP disclosed
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