SCHEMBL3344842

SCHEMBL3344842

O=c1ccc2ccc(=O)n3ccn1c23

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
BRPF1 P55201 2/20 0.33
BRD9 Q9H8M2 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KAT2B Q92831 1/20 0.33
ADORA3 P0DMS8 1/20 0.31
TAF1 P21675 1/20 0.30
CREBBP Q92793 1/20 0.30
CECR2 Q9BXF3 1/20 0.30

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
SCHEMBL29884023 0.63 CRBN (0.38) BRD4BRPF1BRD9TAF1CREBBP
SCHEMBL13052119 0.57 ALDH1A1 (0.35) BRD4BRPF1BRD9CA12CA9
SCHEMBL10967544 0.54 CA12 (0.41) BRD4BRPF1BRD9CA12CA9
SCHEMBL31485321 0.53
SCHEMBL7897568 0.52 TYR (0.40)
SCHEMBL2577997 0.52 SMN1; SMN2 (0.32) ADORA3
SCHEMBL980739 0.51
SCHEMBL17233963 0.49
SCHEMBL19497755 0.49 BRD4 (0.43) BRD4BRPF1BRD9TAF1CREBBP
SCHEMBL8537487 0.47

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-3182973-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-06-28 EP claimed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO claimed
EP-2137196-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-06 EP claimed
EP-2137196-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP claimed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO claimed
EP-3182973-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-06-28 EP disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO disclosed
WO-2010043714-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-22 WO disclosed