SCHEMBL22701865

SCHEMBL22701865

c1ccc(-c2cccc(-c3ccc4sc5c(-c6nc(-c7ccccc7)nc(-n7c8ccccc8c8ccc(-c9ccccc9)cc87)n6)cccc5c4c3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.35
ALOX5 P09917 1/20 0.35
PIM3 Q86V86 3/20 0.33
PIM1 P11309 3/20 0.32
PIM2 Q9P1W9 3/20 0.32
ROCK1 Q13464 1/20 0.30
PRKDC P78527 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
SCHEMBL22701854 0.99 LIMK1 (0.36) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22329623 0.98 LIMK1 (0.35) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701796 0.96 ALOX5 (0.37) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701853 0.96 LIMK1 (0.38) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701903 0.96 LIMK1 (0.38) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701793 0.95 ALOX5 (0.39) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701813 0.95 ALOX5 (0.39) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL24301326 0.95 ALOX5 (0.40) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL22701837 0.94 LIMK1 (0.37) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL15615719 0.94 ALOX5 (0.41) LIMK1ALOX5PIM3PRKDC

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-2020235955-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed