SCHEMBL21755949

SCHEMBL21755949

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc45)n3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.40
LIMK1 P53667 2/20 0.39
PIK3CA P42336 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ROCK1 Q13464 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F9 P00740 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MCL1 Q07820 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL22352370 1.00 PIM3 (0.40) PIM3LIMK1PIK3CAPI4KAPI4KB
SCHEMBL22240965 1.00 PIM3 (0.40) PIM3LIMK1PIK3CAPI4KAPI4KB
SCHEMBL22240602 1.00 PIM3 (0.40) PIM3LIMK1PIK3CAPI4KAPI4KB
SCHEMBL22352368 1.00 PIM3 (0.40) PIM3LIMK1PIK3CAPI4KAPI4KB
SCHEMBL23790469 0.99 PIM3 (0.39) PIM3LIMK1PIK3CAPI4KAPI4KB
SCHEMBL22240561 0.99 PIM3 (0.39) PIM3LIMK1PIK3CAPI4KAPI4KB
SCHEMBL22352669 0.99 PIM3 (0.39) PIM3LIMK1PIK3CAPI4KAPI4KB
SCHEMBL23790569 0.99 PIM3 (0.39) PIM3LIMK1PIK3CAPI4KAPI4KB
SCHEMBL22352262 0.97 ALDH1A1 (0.40) PIM3LIMK1PIK3CAPI4KAPI4KB
SCHEMBL23790726 0.97 PIM3 (0.42) PIM3LIMK1PIK3CAPI4KAPI4KB

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
WO-2020040571-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-27 WO disclosed