SCHEMBL9535440

SCHEMBL9535440

CCOC(=O)CC[C@@H](NC(=O)c1ccc(CCc2cnc3nc(NC(C)=O)nc(O)c3c2)cc1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GART P22102 1/20 0.45
DHFR P00374 5/20 0.43
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL9535434 1.00 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9049343 0.92 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9049346 0.92 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9050159 0.89 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9050162 0.89 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9537038 0.88 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9537034 0.88 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9537024 0.88 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10494179 0.87 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10494173 0.87 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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 7 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
US-4845216-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-07-04 US disclosed
EP-0215063-A4 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. UNIV PRINCETON (US) 1987-11-23 EP disclosed
US-4684653-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1987-08-04 US 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