SCHEMBL20124332

SCHEMBL20124332

C/C=C\c1c(CC)nc2n(C)c3ccccc3n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.37
EGFR P00533 1/20 0.37
MAPT P10636 3/20 0.34
ADORA2B P29275 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 3/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL20124331 0.81 ADORA1 (0.46) ADORA1EGFRMAPTADORA2BKDM4E
SCHEMBL23652501 0.80 ADORA1 (0.35) ADORA1EGFRMAPTADORA2BKDM4E
SCHEMBL21913548 0.75 MAPT (0.40) MAPTKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL20094136 0.74 ADORA1 (0.37) ADORA1EGFRMAPTADORA2BKDM4E
SCHEMBL21698371 0.71 HSD11B1 (0.40) ADORA1ADORA2BALDH1A1NPC1RAB9A
SCHEMBL25638911 0.70 KDM4E (0.43) MAPTKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL21415870 0.68 KDM4E (0.41) MAPTKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL19054923 0.68 KDM4E (0.41) MAPTKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL20124327 0.67 ADORA1 (0.47) ADORA1EGFRMAPTADORA2BKDM4E
SCHEMBL20124326 0.67 KDM4E (0.43) MAPTKDM4EALDH1A1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318566-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2018-05-09 EP disclosed