SCHEMBL28029282

SCHEMBL28029282

COc1cccc(-c2cc(-c3cccc(OC)c3)nc(-c3cccc(OC)c3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 2/20 0.65
▸ DYRK1A Q13627 1/20 0.65
▸ ADORA3 P0DMS8 2/20 0.64
▸ ADORA2B P29275 2/20 0.64
▸ ADORA1 P30542 2/20 0.64
▸ ADORA2A P29274 1/20 0.64
▸ CYP19A1 P11511 1/20 0.59
▸ CYP1A2 P05177 4/20 0.58
▸ CYP3A4 P08684 4/20 0.58
▸ CYP2C9 P11712 4/20 0.58
▸ CYP2B6 P20813 2/20 0.58
▸ AHR P35869 2/20 0.58
▸ NR1I3 Q14994 2/20 0.58
▸ VDR P11473 1/20 0.58
▸ NR1H2 P55055 1/20 0.55
▸ NR1H3 Q13133 1/20 0.55
▸ CYP2D6 P10635 3/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ALOX15 P16050 1/20 0.54

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
SCHEMBL28315176 0.85 CYP1A2 (0.67) CLK4DYRK1AADORA3ADORA1ADORA2A
SCHEMBL29712524 0.85 CYP1A2 (0.67) CLK4DYRK1AADORA3ADORA1ADORA2A
SCHEMBL23383679 0.85 CLK4 (0.65) CLK4DYRK1AADORA3ADORA2BADORA1
SCHEMBL3630297 0.84 DYRK1A (0.58) CLK4DYRK1AADORA3ADORA2BADORA1
SCHEMBL29470234 0.84 DYRK1A (0.58) CLK4DYRK1AADORA3ADORA2BADORA1
SCHEMBL25334573 0.83 CLK4 (0.62) CLK4DYRK1AADORA3ADORA2BADORA1
SCHEMBL30423164 0.83 CLK4 (0.62) CLK4DYRK1AADORA3ADORA2BADORA1
SCHEMBL28029638 0.82 CLK4 (0.72) CLK4DYRK1ACYP19A1CYP1A2CYP3A4
SCHEMBL4126244 0.81 CLK4 (0.61) CLK4DYRK1AADORA3ADORA2BADORA1
SCHEMBL1592678 0.81 CLK4 (0.61) CLK4DYRK1AADORA3ADORA2BADORA1

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
CN-103145624-B Molecular glass positive photoresist and patterning method thereof TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-08-05 — — CN disclosed
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