SCHEMBL9823440

SCHEMBL9823440

C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.70
TYMS P04818 7/20 0.58

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
SCHEMBL14550680 0.83 DHFR (0.79) DHFRTYMS
SCHEMBL9823461 0.83 DHFR (1.00) DHFRTYMS
SCHEMBL9823189 0.82 DHFR (0.61) DHFRTYMS
SCHEMBL9823179 0.81 DHFR (0.51) DHFRTYMS
SCHEMBL9823099 0.81 DHFR (0.78) DHFRTYMS
SCHEMBL18163402 0.81 DHFR (0.80) DHFRTYMS
SCHEMBL12654759 0.81 DHFR (0.75) DHFRTYMS
SCHEMBL9823269 0.80 DHFR (1.00) DHFRTYMS
SCHEMBL12421765 0.80 DHFR (0.75) DHFRTYMS
SCHEMBL31490169 0.80 DHFR (0.87) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426666-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1991-05-15 EP claimed
US-4857530-A THYMIDYLATE SYNTHASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-08-15 US claimed
EP-0316657-A1 Substituted quinazolinones as anticancer agents WARNER-LAMBERT COMPANY (US) 1989-05-24 EP claimed
WO-1989004307-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1989-05-18 WO claimed
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
EP-0316657-A1 Substituted quinazolinones as anticancer agents WARNER-LAMBERT COMPANY (US) 1989-05-24 EP disclosed
WO-1989004307-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1989-05-18 WO disclosed