SCHEMBL22562533

SCHEMBL22562533

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(Cc4nc(C)nc(-c5ccc6c(c5)c5cc(-c7nc(C)nc(C)n7)ccc5n6-c5cc(-c6cccc(-c7ccccc7)n6)cc(-n6c7ccc(-c8nc(C)nc(C)n8)cc7c7cc(-c8nc(C)nc(C)n8)ccc76)c5C#N)n4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2C#N)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
SQOR Q9Y6N5 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGER4 P35408 1/20 0.31
PDE9A O76083 1/20 0.31
PDE1C Q14123 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL22562336 0.87 NPY5R (0.32) NPY5RPTGER4
SCHEMBL19909214 0.86 SQOR (0.38) NPY5RADORA2AADORA1KDM4EHPGD
SCHEMBL21278722 0.86 SQOR (0.38) NPY5RADORA2AADORA1KDM4EHPGD
SCHEMBL22562531 0.85 SQOR (0.35) ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL22563681 0.85 SQOR (0.39) NPY5RADORA2AADORA1KDM4EHPGD
SCHEMBL22562376 0.83 ADORA2A (0.36) NPY5RADORA2AADORA1KDM4EHPGD
SCHEMBL21278723 0.83 L3MBTL1 (0.40) ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL19909212 0.83 L3MBTL1 (0.40) ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL22562532 0.82 L3MBTL1 (0.37) ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL22563678 0.82 L3MBTL1 (0.41) ADORA2AADORA1KDM4EHPGDPPARG

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-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed