SCHEMBL1706244

SCHEMBL1706244

O=C(O)c1nc[nH]c2ccnc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 8/20 0.39
ASPH Q12797 2/20 0.38
KDM8 Q8N371 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
KDM4A O75164 2/20 0.36
KDM5C P41229 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
KDM4B O94953 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4C Q9H3R0 3/20 0.35

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
SCHEMBL29696567 0.84 GDA (0.39) HSD17B10CYP2C19TDP1KDM4AKDM5C
SCHEMBL30880788 0.75 KDM4C (0.50) KDM4EASPHKDM8TDP1ALDH1A1
SCHEMBL28462590 0.75 KDM4C (0.50) KDM4EASPHKDM8TDP1ALDH1A1
SCHEMBL6022428 0.73 HCAR2 (0.37) KDM4EASPHKDM8TDP1KDM4A
SCHEMBL1056425 0.72 KDM4A (0.37) KDM4AKDM5CKDM5BKDM4BPOLB
SCHEMBL31394920 0.72 KDM4E (0.43) HSD17B10CYP2C19KDM4EASPHKDM8
SCHEMBL12756128 0.71 HSD17B10 (0.48) HSD17B10CYP2C19KDM4ETDP1ALDH1A1
SCHEMBL21437991 0.70 HSD17B10 (0.44) HSD17B10CYP2C19KDM4ETDP1ALDH1A1
SCHEMBL4791037 0.70 EGLN1 (0.63) HSD17B10CYP2C19KDM4EASPHKDM8
SCHEMBL31485777 0.68 KDM4A (0.37) CYP2C19KDM4AKDM5CKDM5BKDM4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440558-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010144486-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed