SCHEMBL29311116

SCHEMBL29311116

c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4ccccc4)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.39
GPR3 P46089 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
LIMK1 P53667 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
F9 P00740 1/20 0.34
ALOX5 P09917 1/20 0.34
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
ROCK1 Q13464 1/20 0.33
SLC9A1 P19634 1/20 0.33
HSD17B1 P14061 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
SCHEMBL27454759 0.96 PIM3 (0.42) PIM3GPR3CYP1A2ADORA2AADORA1
SCHEMBL23027550 0.94 PIM3 (0.40) PIM3GPR3CYP1A2ADORA2AADORA1
SCHEMBL21563848 0.93 PIM3 (0.41) PIM3GPR3CYP1A2ADORA2AADORA1
SCHEMBL23027563 0.93 PIM3 (0.40) PIM3GPR3CYP1A2ADORA2AADORA1
SCHEMBL22057987 0.92 PIM3 (0.41) PIM3GPR3CYP1A2ADORA2AADORA1
SCHEMBL23027552 0.92 PIM3 (0.41) PIM3GPR3CYP1A2ADORA2AADORA1
SCHEMBL23027543 0.92 PIM3 (0.41) PIM3GPR3CYP1A2ADORA2AADORA1
SCHEMBL27390588 0.92 PIM3 (0.43) PIM3GPR3CYP1A2ADORA2AADORA1
SCHEMBL23027629 0.91 PIM3 (0.39) PIM3GPR3CYP1A2ADORA2AADORA1
SCHEMBL23027557 0.91 PIM3 (0.42) PIM3GPR3CYP1A2ADORA2AADORA1

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-2024144220-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2024-07-04 WO disclosed