SCHEMBL9044503

SCHEMBL9044503

Nc1ccc(NC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.48
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
TOP2A P11388 1/20 0.46
FEN1 P39748 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NLRP3 Q96P20 1/20 0.43
AKT1 P31749 1/20 0.43
MAPT P10636 4/20 0.43
USP2 O75604 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL9046763 0.92 EGFR (0.55) EGFRSRCTOP2AFEN1MEN1
SCHEMBL9045184 0.89 EGFR (0.47) EGFRSRCTOP2AFEN1MEN1
SCHEMBL25720396 0.89 EGFR (0.47) EGFRSRCTOP2AFEN1MEN1
SCHEMBL24054537 0.89 AHR (0.47) EGFRSRCTOP2AFEN1MEN1
SCHEMBL9047155 0.89 MEN1 (0.56) EGFRSRCTOP2AMEN1KMT2A
SCHEMBL9045464 0.89 HIF1A (0.55) EGFRSRCTOP2AFEN1MEN1
SCHEMBL9043908 0.87 MAPT (0.49) EGFRSRCTOP2AMEN1KMT2A
SCHEMBL9046474 0.86 TP53 (0.53) EGFRSRCTOP2AFEN1MEN1
SCHEMBL9046189 0.85 HTT (0.55) EGFRSRCTOP2AFEN1MEN1
SCHEMBL9045854 0.85 KCNQ3 (0.48) EGFRSRCTOP2AFEN1MEN1

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-0452873-B1 1,8-Naphthyridin-2-one derivatives KYOWA HAKKO KOGYO KK (JP) 1996-07-03 EP disclosed
US-5126341-A Treatment of rheumarthritis KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-06-30 US disclosed
EP-0452873-A1 1,8-Naphthyridin-2-one derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-23 EP disclosed