SCHEMBL14969003

SCHEMBL14969003

Cc1c(Cc2ccccc2)c(Cl)nc2nc(N)c(C(N)=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.44
IKBKB O14920 1/20 0.39
PLA2G2A P14555 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD4 O60885 1/20 0.37
CD38 P28907 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ADCY10 Q96PN6 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14968997 0.79 EEF2K (0.37) RCE1IKBKBNPSR1ALDH1A1HPGD
SCHEMBL27824628 0.71 RCE1 (0.49) RCE1IKBKBPLA2G2ANPSR1ALDH1A1
SCHEMBL14969053 0.70 EEF2K (0.41) RCE1IKBKBSIRT1ALDH1A1HPGD
SCHEMBL5434583 0.69 DHFR (0.47) NPSR1ADCY10CDC7
SCHEMBL6415745 0.69 NPSR1 (0.68) PLA2G2ANPSR1ALDH1A1HPGDKDM4E
SCHEMBL12277345 0.69 KMT2A (0.46) PLA2G2AALDH1A1MAPTHPGDKDM4E
SCHEMBL14967093 0.68 KDM4E (0.51) NPSR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL14968935 0.68 EEF2K (0.46) RCE1IKBKBALDH1A1HPGDCD38
SCHEMBL14966496 0.68 KDM4E (0.38) RCE1IKBKBALDH1A1HPGDKDM4E
SCHEMBL14968947 0.67 IKBKB (0.39) RCE1IKBKBALDH1A1HPGDKDM4E

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
WO-2013072882-A1 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-23 WO claimed
WO-2013072882-A1 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-23 WO disclosed