SCHEMBL9613293

SCHEMBL9613293

Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 3/20 0.64
▸ PTPN1 P18031 3/20 0.64
▸ PTPN5 P54829 3/20 0.64
▸ ALDH1A1 P00352 7/20 0.58
▸ LMNA P02545 5/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ CDC7 O00311 1/20 0.57
▸ EEF2K O00418 1/20 0.57
▸ PLK4 O00444 1/20 0.57
▸ AURKA O14965 1/20 0.57
▸ DYRK3 O43781 1/20 0.57
▸ RPS6KA5 O75582 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ PIM1 P11309 1/20 0.57
▸ PHKG2 P15735 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ AKT1 P31749 1/20 0.57
▸ AKT2 P31751 1/20 0.57
▸ MAPK8 P45983 1/20 0.57

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
SCHEMBL9613356 0.91 PTPN1 (0.60) PTPN2PTPN1PTPN5ALDH1A1LMNA
SCHEMBL1459765 0.77 AURKA (0.68) AURKAAURKB
SCHEMBL5704502 0.76 ALDH1A1 (0.64) PTPN2PTPN1PTPN5ALDH1A1LMNA
SCHEMBL4589934 0.76 PTPN2 (0.57) PTPN2PTPN1PTPN5ALDH1A1LMNA
SCHEMBL9175506 0.75 SMN1; SMN2 (0.76) ALDH1A1LMNASMN1; SMN2AKT1KDM4E
SCHEMBL6764847 0.74 PIK3CD (0.68) PTPN2PTPN1PTPN5ALDH1A1LMNA
SCHEMBL12595573 0.74 ALDH1A1 (0.79) ALDH1A1LMNASMN1; SMN2AKT1AKT2
SCHEMBL12595616 0.74 ALDH1A1 (0.79) ALDH1A1LMNASMN1; SMN2AKT1AKT2
SCHEMBL18083001 0.74 ALDH1A1 (0.93) ALDH1A1LMNASMN1; SMN2KDM4EL3MBTL1
SCHEMBL3886334 0.74 PTPRC (0.61) PTPN2PTPN1PTPN5ALDH1A1LMNA

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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