SCHEMBL26818992

SCHEMBL26818992

c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)nc4sc5ccc(-c6ccccc6)cc5c34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.36
▸ ADORA1 P30542 4/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ PIM3 Q86V86 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ F9 P00740 2/20 0.33
▸ TRIM58 Q8NG06 1/20 0.33
▸ WHR1 P49842 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL26819142 0.96 ADORA2A (0.39) ADORA2AADORA1LIMK1PIM3MEN1
SCHEMBL26819897 0.95 ADORA2A (0.39) ADORA2AADORA1LIMK1PIM3MEN1
SCHEMBL19106413 0.95 ADORA2A (0.36) ADORA2AADORA1LIMK1PIM3MEN1
SCHEMBL16902233 0.94 ADORA2A (0.36) ADORA2AADORA1LIMK1MEN1KMT2A
SCHEMBL16902216 0.94 ADORA2A (0.36) ADORA2AADORA1LIMK1MEN1KMT2A
SCHEMBL18370742 0.93 ADORA2A (0.36) ADORA2AADORA1LIMK1PIM3MEN1
SCHEMBL19106466 0.92 ADORA2A (0.35) ADORA2AADORA1LIMK1PIM3MEN1
SCHEMBL18853482 0.91 ADORA2A (0.34) ADORA2AADORA1MEN1KMT2AATM
SCHEMBL19106436 0.90 ADORA2A (0.39) ADORA2AADORA1LIMK1PIM3MEN1
SCHEMBL19106456 0.90 MEN1 (0.35) ADORA2AADORA1LIMK1PIM3MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230389344-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2023-11-30 — — US disclosed
US-20230389344-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2023-11-30 — — US disclosed
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