SCHEMBL12203333

SCHEMBL12203333

C=CC(C=O)c1cnccn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
NAPRT Q6XQN6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 1/20 0.31
MC3R P41968 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
SCHEMBL2558175 0.88 HSP90AA1 (0.36) KDM4ENAPRTHCAR2HSP90AA1ADORA3
SCHEMBL9287991 0.73 SLC6A3 (0.42) KDM4ETSHRADRA1A
SCHEMBL10715470 0.72 HSP90AA1 (0.33) HSP90AA1
SCHEMBL4564370 0.72 KDM4E (0.34) KDM4ENAPRTHCAR2HSP90AA1ADORA3
SCHEMBL1919145 0.72 KDM4E (0.33) KDM4ENAPRTHCAR2HSP90AA1ADORA3
SCHEMBL11788487 0.72 HSP90AA1 (0.33) HSP90AA1
SCHEMBL13397712 0.72 KDM4E (0.34) KDM4EHSP90AA1
SCHEMBL8427620 0.72 LMNA (0.37) KDM4ENAPRTHCAR2HSP90AA1ADORA3
Bromide SCHEMBL15567663 0.71 KDM4E (0.32) KDM4ENAPRTHCAR2HSP90AA1ADORA3
SCHEMBL10715529 0.70 KDM4E (0.41) KDM4ENAPRTHCAR2ADORA3TSHR

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-1383793-B1 INSULIN AND IGF-1 RECEPTOR AGONISTS AND ANTAGONISTS DGI BIOTECHNOLOGIES L L C (US) 2011-10-19 EP disclosed
EP-2368902-A2 Insulin and IGF-1 receptor agonists and antagonists DGI Bio Technologies LLC (US) 2011-09-28 EP disclosed