SCHEMBL484170

SCHEMBL484170

C#Cc1cnc2c(ccn2C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
ENPP3 O14638 4/20 0.39
ENPP1 P22413 4/20 0.39
EGLN1 Q9GZT9 1/20 0.36
FGFR1 P11362 2/20 0.34
FGFR4 P22455 2/20 0.34
SLC22A12 Q96S37 7/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL2476540 0.85 IRAK4 (0.40) ENPP3ENPP1
SCHEMBL2164484 0.80 GABRA1 (0.43) PARP1ENPP3ENPP1
SCHEMBL28659326 0.76 PARP1 (0.41) PARP1ENPP3ENPP1FGFR1FGFR4
SCHEMBL23327801 0.73 SLC22A12 (0.41) PARP1ENPP3ENPP1SLC22A12SLC22A6
SCHEMBL4417290 0.72 MKNK2 (0.41) PARP1ENPP3ENPP1SLC22A12
SCHEMBL29665757 0.72 MKNK2 (0.41) PARP1ENPP3ENPP1SLC22A12
SCHEMBL23926503 0.72 ENPP3 (0.47) PARP1ENPP3ENPP1SLC22A12
SCHEMBL28139911 0.71 ENPP3 (0.40) PARP1ENPP3ENPP1FGFR1FGFR4
SCHEMBL30179105 0.70 PDGFRB (0.41) ENPP3ENPP1
SCHEMBL16495517 0.70 PARP1 (0.39) PARP1ENPP3ENPP1FGFR1FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103739605-B For detecting the developer of neurological disorder 伊莱利利公司 2016-08-17 CN disclosed
EP-2550255-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2013-01-30 EP disclosed
EP-2411057-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2012-02-01 EP disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed