SCHEMBL3964597

SCHEMBL3964597

O=C(O)CNC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.46
CALCA P06881 1/20 0.42
FTO Q9C0B1 3/20 0.40
TP53 P04637 2/20 0.40
EGLN2 Q96KS0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.38
BBOX1 O75936 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KDM2A Q9Y2K7 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
SCHEMBL969545 0.91 CALCA (0.41) EGLN1CALCATP53L3MBTL1THRB
SCHEMBL966194 0.90 CALCA (0.42) CALCATP53L3MBTL1THRBMAPT
SCHEMBL968296 0.89 CALCA (0.41) CALCATP53L3MBTL1THRBMAPT
SCHEMBL966267 0.88 TP53 (0.42) CALCATP53L3MBTL1THRBMAPT
SCHEMBL968739 0.88 CALCA (0.41) CALCATP53L3MBTL1THRBMAPT
SCHEMBL968731 0.87 CALCA (0.41) CALCATP53L3MBTL1THRBMAPT
SCHEMBL965385 0.86 CALCA (0.39) CALCATP53L3MBTL1THRBMAPT
SCHEMBL969973 0.86 NPSR1 (0.42) CALCATP53L3MBTL1THRBMAPT
SCHEMBL967580 0.86 ADORA2A (0.42) CALCATP53L3MBTL1THRBMAPT
SCHEMBL968666 0.85 RPS6KB1 (0.41) CALCATP53L3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP claimed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 WO claimed