SCHEMBL11085352

SCHEMBL11085352

Cc1cc2nc3ccc(C(C)C(=O)O)cc3c(=O)n2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.40
PTAFR P25105 8/20 0.40
TBXAS1 P24557 11/20 0.40
AKR1B1 P15121 1/20 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
SCHEMBL11266029 0.89 MT-CO2 (0.43) ALPGPTAFRTBXAS1
SCHEMBL11082982 0.86 AKR1C3 (0.44) ALPGPTAFRTBXAS1
SCHEMBL11089935 0.84 ALPG (0.46) ALPGPTAFRTBXAS1
SCHEMBL11083819 0.82 ALPG (0.47) ALPGPTAFRTBXAS1
SCHEMBL11088552 0.80 KDM4E (0.45) ALPGPTAFRTBXAS1AKR1B1
SCHEMBL11082035 0.80 AKR1C3 (0.39) AKR1B1
SCHEMBL11076242 0.79 ALPG (0.64) ALPGPTAFRTBXAS1AKR1B1
SCHEMBL11084425 0.79 ALPG (0.46) ALPGPTAFRTBXAS1
SCHEMBL11090785 0.79 KDM4E (0.48) ALPGPTAFRTBXAS1
SCHEMBL11085356 0.78 AKR1B1 (0.38) PTAFRTBXAS1AKR1B1

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 4 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-A1 Pyrido (2,1-b) quinazolinones, their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-05-28 EP disclosed