SCHEMBL9534963

SCHEMBL9534963

CC(C)(C)OC(=O)c1ccc(/C=C/c2cnc3nc(N)nc(N)c3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.38

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
SCHEMBL9534966 1.00 DHFR (0.38) DHFR
SCHEMBL9538221 0.87 DHFR (0.37) DHFR
SCHEMBL9538226 0.87 DHFR (0.37) DHFR
SCHEMBL9537269 0.83 ALDH1A1 (0.45) DHFR
SCHEMBL9537276 0.83 ALDH1A1 (0.45) DHFR
SCHEMBL9536804 0.80 DHFR (0.45) DHFR
SCHEMBL9536799 0.80 DHFR (0.45) DHFR
SCHEMBL9536795 0.80 DHFR (0.45) DHFR
SCHEMBL10494207 0.76 DHFR (0.39) DHFR
SCHEMBL10494200 0.76 DHFR (0.39) DHFR

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-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-4927828-A ANTITUMOR THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-05-22 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