SCHEMBL22700310

SCHEMBL22700310

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)sc4cccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c45)cc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.39
PIK3CA P42336 1/20 0.39
PI4KA P42356 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
F9 P00740 3/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
SLC9A1 P19634 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PIK3CG P48736 1/20 0.33

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
SCHEMBL25851940 1.00 LIMK1 (0.39) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL25645766 1.00 LIMK1 (0.39) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL25851944 0.97 LIMK1 (0.38) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL25645752 0.97 LIMK1 (0.38) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL24523457 0.97 LIMK1 (0.38) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL24523666 0.97 LIMK1 (0.38) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL24523664 0.97 LIMK1 (0.38) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL24523420 0.97 LIMK1 (0.39) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL24523530 0.97 LIMK1 (0.39) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL24523388 0.97 LIMK1 (0.39) LIMK1PIK3CAPI4KAPI4KBF9

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-2020235976-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed