SCHEMBL22065095

SCHEMBL22065095

N#Cc1cnc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
TSHR P16473 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
AKT1 P31749 3/20 0.32
FLT3 P36888 1/20 0.31
ALDH1A1 P00352 5/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AKT2 P31751 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22064967 0.89 PGR (0.37) PGREGLN1AKT1ALDH1A1KDM4E
SCHEMBL22064973 0.87 PGR (0.40) PGREGLN1TSHRADORA2AADORA1
SCHEMBL22065096 0.86 PGR (0.31) PGRTSHRKDM4ESMN1; SMN2MAPT
SCHEMBL22065083 0.84 NPSR1 (0.34) PGR
SCHEMBL22065097 0.82 KDM4E (0.34) TSHRADORA2AADORA1AKT1ALDH1A1
SCHEMBL19345000 0.81 STS (0.39) PGREGLN1
SCHEMBL19345024 0.80 PGR (0.42) PGREGLN1TSHR
SCHEMBL19344979 0.79 PGR (0.34) PGREGLN1
SCHEMBL19345074 0.79 PGR (0.39) PGREGLN1ALDH1A1LMNAHPGD
SCHEMBL13143204 0.78 PGR (0.45) PGRTSHRLMNA

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
US-20200185616-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME LG DISPLAY CO., LTD (KR) 2020-06-11 US disclosed