SCHEMBL19802129

SCHEMBL19802129

c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7ccc(-c8ccc(-c9ccccc9)cc8)cc7c56)n4)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.40
LIMK1 P53667 2/20 0.38
ROCK1 Q13464 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ADORA2B P29275 1/20 0.35
PIK3CA P42336 1/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
F9 P00740 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL19803127 1.00 PIM3 (0.40) PIM3LIMK1ROCK1ADORA2AADORA1
SCHEMBL19802731 1.00 PIM3 (0.40) PIM3LIMK1ROCK1ADORA2AADORA1
SCHEMBL22876179 1.00 PIM3 (0.40) PIM3LIMK1ROCK1ADORA2AADORA1
SCHEMBL19803133 1.00 PIM3 (0.40) PIM3LIMK1ROCK1ADORA2AADORA1
SCHEMBL22876381 1.00 PIM3 (0.40) PIM3LIMK1ROCK1ADORA2AADORA1
SCHEMBL23138641 1.00 PIM3 (0.40) PIM3LIMK1ROCK1ADORA2AADORA1
SCHEMBL22876416 1.00 PIM3 (0.40) PIM3LIMK1ROCK1ADORA2AADORA1
SCHEMBL22876396 1.00 PIM3 (0.40) PIM3LIMK1ROCK1ADORA2AADORA1
SCHEMBL22329213 1.00 PIM3 (0.40) PIM3LIMK1ROCK1ADORA2AADORA1
SCHEMBL19802134 1.00 PIM3 (0.40) PIM3LIMK1ROCK1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685859-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-06-27 US disclosed
US-11685859-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-06-27 US disclosed
US-20210009894-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-14 US disclosed
WO-2018016742-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2018-01-25 WO disclosed