SCHEMBL11089935

SCHEMBL11089935

CC(C(=O)O)c1ccc2nc3ccc(Br)cn3c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.46
PTAFR P25105 10/20 0.45
TBXAS1 P24557 11/20 0.44

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
SCHEMBL11081254 0.89 ALPG (0.48) ALPGPTAFRTBXAS1
SCHEMBL11083819 0.87 ALPG (0.47) ALPGPTAFRTBXAS1
SCHEMBL11076242 0.86 ALPG (0.64) ALPGPTAFRTBXAS1
SCHEMBL11084425 0.86 ALPG (0.46) ALPGPTAFRTBXAS1
SCHEMBL11090785 0.86 KDM4E (0.48) ALPGPTAFRTBXAS1
SCHEMBL11083308 0.85 AKR1C3 (0.53) ALPGPTAFRTBXAS1
SCHEMBL11085352 0.84 ALPG (0.40) ALPGPTAFRTBXAS1
SCHEMBL11079315 0.83 AKR1C3 (0.45) ALPGPTAFRTBXAS1
SCHEMBL11086453 0.83 AKR1C3 (0.52) ALPGPTAFRTBXAS1
SCHEMBL11084490 0.82 ALPG (0.43) ALPGPTAFRTBXAS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0011142-B1 PYRIDO (2,1-B) QUINAZOLINONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1982-12-29 EP claimed
EP-0011142-A1 Pyrido (2,1-b) quinazolinones, their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-05-28 EP claimed
US-4457927-A Pyrido[2,1-b]quinazolinone derivatives and the preparation and use thereof SCHERING, AKTIENGESELLSCHAFT (DE) 1984-07-03 US disclosed
EP-0011142-B1 PYRIDO (2,1-B) QUINAZOLINONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1982-12-29 EP disclosed
EP-0011142-A1 Pyrido (2,1-b) quinazolinones, their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-05-28 EP disclosed
EP-0011142-A1 Pyrido (2,1-b) quinazolinones, their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-05-28 EP disclosed