SCHEMBL9535283

SCHEMBL9535283

CCOC(=O)CC[C@@H](NC(=O)c1ccc(CC(C)C2CNc3nc(NC(C)=O)nc(O)c3C2)cc1)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHFR P00374 3/20 0.36
GART P22102 5/20 0.35
ATIC P31939 1/20 0.35
NOD2 Q9HC29 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL9535276 1.00 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9534079 0.86 GART (0.49) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9534086 0.86 GART (0.49) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL10494147 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL10494144 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9050434 0.79 GART (0.48) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9050424 0.79 GART (0.48) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9209872 0.78 GART (0.38) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9048299 0.78 GART (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9048289 0.78 GART (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215063-B1 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES UNIV PRINCETON (US) 1993-11-03 EP disclosed
US-5026851-A Antineoplastic agents THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-25 US disclosed
EP-0215063-A4 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. UNIV PRINCETON (US) 1987-11-23 EP disclosed
EP-0215063-A1 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. UNIV PRINCETON (US) 1987-03-25 EP disclosed
WO-1986005181-A1 PYRIDO AD2,3-d BDPYRIMIDIN DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1986-09-12 WO disclosed