SCHEMBL19917037

SCHEMBL19917037

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5sc6c7ccccc7c7ccccc7c6c5c4)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 2/20 0.41
▸ PIM1 P11309 3/20 0.37
▸ PIM2 Q9P1W9 3/20 0.37
▸ PIM3 Q86V86 2/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ ROCK1 Q13464 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 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
SCHEMBL19917072 1.00 LIMK1 (0.41) LIMK1PIM1PIM2PIM3ADORA2A
SCHEMBL25557627 0.92 ALOX5 (0.39) LIMK1PIM1PIM2PIM3ADORA2A
SCHEMBL21186975 0.92 ALOX5 (0.39) LIMK1PIM1PIM2PIM3ADORA2A
SCHEMBL21186844 0.92 ALOX5 (0.39) LIMK1PIM1PIM2PIM3ADORA2A
SCHEMBL21186734 0.91 LIMK1 (0.39) LIMK1PIM1PIM2PIM3ADORA2A
SCHEMBL21186845 0.91 LIMK1 (0.39) LIMK1PIM1PIM2PIM3ADORA2A
SCHEMBL21186733 0.91 LIMK1 (0.39) LIMK1PIM1PIM2PIM3ADORA2A
SCHEMBL21187068 0.91 LIMK1 (0.39) LIMK1PIM1PIM2PIM3ADORA2A
SCHEMBL21187012 0.91 LIMK1 (0.39) LIMK1PIM1PIM2PIM3ADORA2A
SCHEMBL25557626 0.91 LIMK1 (0.39) LIMK1PIM1PIM2PIM3ADORA2A

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-2018038464-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-03-01 — — WO disclosed
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