SCHEMBL6579718

SCHEMBL6579718

C#CCN(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.78
TYMS P04818 4/20 0.61

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
SCHEMBL24629149 0.94 DHFR (0.70) DHFRTYMS
SCHEMBL25904711 0.90 DHFR (0.65) DHFRTYMS
SCHEMBL10828922 0.90 TYMS (0.74) DHFRTYMS
SCHEMBL10829081 0.88 TYMS (0.72) DHFRTYMS
SCHEMBL10829068 0.88 DHFR (0.64) DHFRTYMS
SCHEMBL10828707 0.88 DHFR (0.64) DHFRTYMS
SCHEMBL10828960 0.88 DHFR (0.78) DHFRTYMS
SCHEMBL10829048 0.87 DHFR (0.60) DHFRTYMS
SCHEMBL10828939 0.86 DHFR (0.60) DHFRTYMS
SCHEMBL9724128 0.86 DHFR (0.70) DHFRTYMS

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4564616-A Anti-cancer quinazoline derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-01-14 US claimed
EP-0031237-B1 QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTI-CANCER AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-17 EP claimed
US-4447608-A ANTITUMOR AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-05-08 US claimed
EP-0031237-A1 Quinazoline derivatives, processes for their preparation, compositions containing them and their use as anti-cancer agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1981-07-01 EP claimed
EP-1155012-B1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER REC TECH LTD (GB) 2004-04-14 EP disclosed
US-6699861-B1 ANTI-CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-02 US disclosed
EP-1155012-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES Cancer Research Ventures Limited (GB) 2001-11-21 EP disclosed
WO-2000050417-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER RESEARCH VENTURES LIMITED (GB) 2000-08-31 WO disclosed
US-5236927-A Reduced toxicity; side effect reduction NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-08-17 US disclosed
EP-0204529-B1 ANTI-CANCER QUINAZOLINE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 1993-03-31 EP disclosed
EP-0426666-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1991-05-15 EP disclosed
US-4857530-A THYMIDYLATE SYNTHASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-08-15 US disclosed
US-4564616-A Anti-cancer quinazoline derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-01-14 US disclosed
US-4536575-A INTERMEDIATES FOR 5-DEAZA ANALOGS OF FOLIC ACID, ANTICARCINOGENIC AGENTS; LEUKEMIA SOUTHERN RESEARCH INSTITUTE (US) 1985-08-20 US disclosed
US-4526964-A Intermediates useful in producing 5-deaza analogs of folic acid and aminopterin SOUTHERN RESEARCH INSTITUTE (US) 1985-07-02 US disclosed
EP-0031237-B1 QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTI-CANCER AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-17 EP disclosed
US-4447608-A ANTITUMOR AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-05-08 US disclosed
US-4431805-A ANTICARCINOGENIC AGENTS; LEUKEMIA; REDUCTASE INHIBITORS; FOLIC ACID ANTAGONISTS SOUTHERN RESEARCH INSTITUTE (US) 1984-02-14 US disclosed
EP-0075880-A2 Pyrido (2,3-d) pyrimidines Southern Research Institute (US) 1983-04-06 EP disclosed
EP-0031237-A1 Quinazoline derivatives, processes for their preparation, compositions containing them and their use as anti-cancer agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1981-07-01 EP disclosed