SCHEMBL9613296

SCHEMBL9613296

O=C(O)C1Nc2cc3nc(-c4cccs4)c(-c4cccs4)nc3cc2C2C=CCC12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 12/20 0.53
▸ HSPA1A P0DMV8 11/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ GAPDH P04406 7/20 0.52
▸ POLB P06746 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ BLM P54132 4/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ CDC25B P30305 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MASP2 O00187 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ RECQL P46063 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ CD44 P16070 2/20 0.52
▸ MSN P26038 2/20 0.52
▸ EZH2 Q15910 2/20 0.52

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
SCHEMBL9613389 0.86 POLB (0.57) PTPN7HSPA1ATDP1GAPDHPOLB
SCHEMBL15357609 0.83 RPS6KB2 (0.42) PTPN7HSPA1ATDP1GAPDHPOLB
SCHEMBL31492743 0.70 PTPN7 (1.00) PTPN7HSPA1ATDP1GAPDHPOLB
SCHEMBL26098723 0.70 PTPN7 (1.00) PTPN7HSPA1ATDP1GAPDHPOLB
SCHEMBL3610631 0.69 CDC25B (1.00) PTPN7HSPA1ATDP1GAPDHPOLB
SCHEMBL2808722 0.69 PTPN7 (1.00) PTPN7HSPA1ATDP1GAPDHPOLB
SCHEMBL13186581 0.69 PTPN7 (0.73) PTPN7HSPA1ATDP1GAPDHPOLB
SCHEMBL2116528 0.69 PTPN7 (1.00) PTPN7HSPA1ATDP1GAPDHPOLB
SCHEMBL16706087 0.69 PTPN7 (1.00) PTPN7HSPA1ATDP1GAPDHPOLB
SCHEMBL16706084 0.67 POLB (1.00) PTPN7HSPA1ATDP1GAPDHPOLB

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
WO-2012071414-A2 QUINOXALINE COMPOUNDS AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-05-31 — — WO disclosed
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