SCHEMBL27324992

SCHEMBL27324992

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7cc(-c8ccccc8)ccc7sc6c54)n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.39
PIM3 Q86V86 3/20 0.35
PIM1 P11309 3/20 0.35
PIM2 Q9P1W9 3/20 0.35
ROCK1 Q13464 1/20 0.33
F9 P00740 2/20 0.32
PIK3CA P42336 1/20 0.31
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 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
SCHEMBL15126644 1.00 LIMK1 (0.39) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL24952451 0.95 LIMK1 (0.35) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL16231169 0.94 LIMK1 (0.39) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL18541302 0.94 LIMK1 (0.34) LIMK1PIM3PIM1PIM2
SCHEMBL15625602 0.93 CYP1A2 (0.34) LIMK1PIM3PIM1PIM2ALDH1A1
SCHEMBL21984915 0.92 LIMK1 (0.38) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL16521240 0.92 TNKS (0.33) LIMK1MEN1KMT2AALDH1A1MAPT
SCHEMBL15625597 0.92 TNKS (0.33) LIMK1MEN1KMT2AALDH1A1MAPT
SCHEMBL15894345 0.92 LIMK1 (0.41) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL24217096 0.91 ALOX5 (0.34) LIMK1PIM3PIM1PIM2MAPT

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-2024080856-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE 삼성에스디아이 주식회사 2024-04-18 WO disclosed