SCHEMBL9536040

SCHEMBL9536040

CCC(CC1CNc2nc(N)nc(O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.56
ATIC P31939 3/20 0.51
DHFR P00374 2/20 0.50

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
SCHEMBL9536050 0.95 GART (0.50) GARTATICDHFR
SCHEMBL10479151 0.93 GART (0.57) GARTATIC
SCHEMBL9536834 0.93 GART (0.57) GARTATICDHFR
SCHEMBL10479169 0.93 GART (0.57) GARTATIC
SCHEMBL10479205 0.93 GART (0.57) GARTATIC
SCHEMBL10479203 0.93 GART (0.57) GARTATIC
SCHEMBL10479154 0.93 GART (0.57) GARTATIC
SCHEMBL9534949 0.91 GART (0.58) GARTATICDHFR
SCHEMBL9446048 0.88 GART (0.61) GARTATICDHFR
SCHEMBL9536853 0.88 GART (0.51) GARTATICDHFR

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 9 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 claimed
EP-0215063-A4 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. UNIV PRINCETON (US) 1987-11-23 EP claimed
US-4684653-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1987-08-04 US claimed
EP-0215063-A1 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. UNIV PRINCETON (US) 1987-03-25 EP claimed
WO-1986005181-A1 PYRIDO AD2,3-d BDPYRIMIDIN DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1986-09-12 WO claimed
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
US-4684653-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1987-08-04 US disclosed