SCHEMBL22563496

SCHEMBL22563496

N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.38
ADORA1 P30542 5/20 0.37
ADORA2A P29274 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
PIM1 P11309 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL22563491 0.96 SQOR (0.36) CSNK2A1ADORA1ADORA2AL3MBTL1MAPK1
SCHEMBL22563394 0.95 MYC (0.41) CSNK2A1ADORA1ADORA2AL3MBTL1MAPK1
SCHEMBL23487735 0.94 KDM4E (0.45) ADORA1ADORA2AL3MBTL1MEN1KMT2A
SCHEMBL21278840 0.93 MEN1 (0.40) CSNK2A1ADORA1ADORA2AL3MBTL1MAPK1
SCHEMBL23487306 0.93 MEN1 (0.43) CSNK2A1ADORA1ADORA2AL3MBTL1MAPK1
SCHEMBL23487700 0.92 ABCG2 (0.39) CSNK2A1ADORA2ASQORMEN1KMT2A
SCHEMBL23487632 0.92 ALDH1A3 (0.46) ADORA1ADORA2AMAPK1MEN1KMT2A
SCHEMBL23487309 0.92 ALDH1A3 (0.38) CSNK2A1ADORA1ADORA2AL3MBTL1MAPK1
SCHEMBL23487219 0.92 GABRG2 (0.43) CSNK2A1ADORA1ADORA2AL3MBTL1MAPK1
SCHEMBL22563708 0.92 SQOR (0.38) CSNK2A1ADORA1ADORA2AL3MBTL1MAPK1

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-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed