SCHEMBL11083308

SCHEMBL11083308

CSc1ccc2nc3ccc(C(C)C(=O)O)cc3c(=O)n2c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 3/20 0.53
ALPG P10696 1/20 0.46
PTAFR P25105 8/20 0.44
TBXAS1 P24557 10/20 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
SCHEMBL11269248 0.90 ALPG (0.48) ALPGPTAFRTBXAS1
SCHEMBL11083819 0.86 ALPG (0.47) ALPGPTAFRTBXAS1
SCHEMBL11090785 0.85 KDM4E (0.48) ALPGPTAFRTBXAS1
SCHEMBL11076242 0.85 ALPG (0.64) ALPGPTAFRTBXAS1
SCHEMBL11089935 0.85 ALPG (0.46) ALPGPTAFRTBXAS1
SCHEMBL11084425 0.85 ALPG (0.46) ALPGPTAFRTBXAS1
SCHEMBL11086453 0.82 AKR1C3 (0.52) AKR1C3AKR1C2ALPGPTAFRTBXAS1
SCHEMBL11079315 0.82 AKR1C3 (0.45) AKR1C3AKR1C2ALPGPTAFRTBXAS1
SCHEMBL11084490 0.81 ALPG (0.43) ALPGPTAFRTBXAS1
SCHEMBL11090843 0.80 AKR1C3 (0.44) AKR1C3AKR1C2ALPGPTAFRTBXAS1

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
US-4457927-A Pyrido[2,1-b]quinazolinone derivatives and the preparation and use thereof SCHERING, AKTIENGESELLSCHAFT (DE) 1984-07-03 US claimed
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