SCHEMBL9050434

SCHEMBL9050434

CCOC(=O)CC[C@@H](NC(=O)c1ccc(CCC2CNc3nc(NC(=O)C(C)(C)C)nc(O)c3C2)cc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.48
DHFR P00374 2/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATIC P31939 2/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36

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
SCHEMBL9050424 1.00 GART (0.48) GARTDHFRKDM4EALDH1A1HPGD
SCHEMBL9048289 0.96 GART (0.44) GARTDHFRKDM4EALDH1A1HPGD
SCHEMBL9048299 0.96 GART (0.44) GARTDHFRKDM4EALDH1A1HPGD
SCHEMBL9534079 0.92 GART (0.49) GARTDHFRKDM4EALDH1A1HPGD
SCHEMBL9534086 0.92 GART (0.49) GARTDHFRKDM4EALDH1A1HPGD
SCHEMBL9209872 0.91 GART (0.38) GARTDHFRKDM4EALDH1A1HPGD
SCHEMBL9383614 0.88 GART (0.56) GARTDHFRKDM4EALDH1A1HPGD
SCHEMBL9383606 0.88 GART (0.56) GARTDHFRKDM4EALDH1A1HPGD
SCHEMBL9215054 0.88 DHFR (0.37) GARTDHFRKDM4EALDH1A1HPGD
SCHEMBL10479162 0.87 KDM4E (0.37) GARTDHFRKDM4EALDH1A1HPGD

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-0314280-B1 Process for the preparation of fused pyridine compounds UNIV PRINCETON (US) 1996-02-21 EP disclosed
US-5473071-A Process for the preparation of fused pyridine compounds TRUSTEES OF PRINCETON UNIVERSITY (US) 1995-12-05 US disclosed
EP-0265126-B1 Process for the preparation of fused pyridine compounds UNIV PRINCETON (US) 1994-04-13 EP disclosed
US-4988813-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-01-29 US disclosed
US-4902796-A 6-alkenyl and ethynyl derivatives of 2-amino-4-hydroxypyrido[2,3-d]pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-02-20 US disclosed
US-4895946-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-01-23 US disclosed
US-4818819-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-04-04 US disclosed
EP-0265126-A2 Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1988-04-27 EP disclosed