SCHEMBL6675784

SCHEMBL6675784

COc1ccc(CN2CNC(=O)c3[nH]c(C(C)C)nc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ MMP1 P03956 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ CMA1 P23946 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ PDE1A P54750 2/20 0.36
▸ PDE1B Q01064 2/20 0.36
▸ PDE1C Q14123 2/20 0.36
▸ TYMS P04818 1/20 0.35

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
SCHEMBL6675820 0.79 MAPK1 (0.46) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL6673821 0.79 CMA1 (0.43) GAACMA1MAPTKMT2AKDM4E
SCHEMBL6677675 0.74 MAPT (0.37) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL10508847 0.70 TYMS (0.51) GAAGRM2CMA1PNPTYMS
SCHEMBL17360667 0.66 CMA1 (0.59) GAAMMP1MMP13GRM2CMA1
SCHEMBL4003120 0.65 GAA (0.66) GAAMMP1MMP13GRM2CMA1
SCHEMBL21383155 0.65 GAA (0.42) GAAMMP1MMP13CMA1MAPT
SCHEMBL6675792 0.65 PNP (0.50) GAACMA1MAPTKMT2AKDM4E
SCHEMBL10277306 0.65 MMP1 (0.58) GAAMMP1MMP13GRM2CMA1
SCHEMBL10277302 0.65 MMP1 (0.58) GAAMMP1MMP13GRM2CMA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 — — EP claimed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 — — EP claimed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 — — EP claimed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 — — WO claimed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 — — EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 — — EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 — — EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 — — WO disclosed
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