SCHEMBL1159990

SCHEMBL1159990

Cc1ccnc(Nc2cc3ccn(CCN4CCOCC4)c(=O)c3c(N[C@@H](C)C(O)I)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.37
GRM2 Q14416 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AVPR1B P47901 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL1158322 0.90 SYK (0.42) SYKGRM2KDM4EALDH1A1HPGD
SCHEMBL1158650 0.89 SYK (0.42) SYKGRM2KDM4EALDH1A1HPGD
SCHEMBL1158989 0.84 SYK (0.38) SYKGRM2KDM4EALDH1A1HPGD
SCHEMBL12797783 0.81 SYK (0.59) SYKHTR1ADRD2HTR2A
SCHEMBL1158957 0.81 SYK (0.59) SYKHTR1ADRD2HTR2A
SCHEMBL1158785 0.79 SYK (0.55) SYKGRM2
SCHEMBL1158418 0.78 SYK (0.55) SYK
SCHEMBL1159729 0.78 SYK (0.50) SYKGRM2
SCHEMBL1158693 0.77 SYK (0.47) SYK
SCHEMBL1158436 0.75 SYK (0.44) SYK

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-2459556-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-06-06 EP claimed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 WO claimed