SCHEMBL13680578

SCHEMBL13680578

Cc1cccc(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.70
▸ CLK1 P49759 2/20 0.70
▸ CLK2 P49760 2/20 0.70
▸ CDK5 Q00535 2/20 0.70
▸ DYRK1A Q13627 2/20 0.70
▸ CLK4 Q9HAZ1 2/20 0.70
▸ DYRK3 O43781 1/20 0.70
▸ CLK3 P49761 1/20 0.70
▸ CDK5R1 Q15078 1/20 0.70
▸ DYRK2 Q92630 1/20 0.70
▸ DYRK1B Q9Y463 1/20 0.70
▸ TRPA1 O75762 12/20 0.60
▸ TGFBR1 P36897 1/20 0.56
▸ ROCK2 O75116 4/20 0.55
▸ AURKB Q96GD4 4/20 0.55
▸ PIM1 P11309 3/20 0.54
▸ FGFR1 P11362 2/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ KDR P35968 1/20 0.51

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
SCHEMBL8264120 0.87 FGFR1 (0.70) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL27537145 0.86 GSK3B (0.64) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL16573980 0.84 GSK3B (0.71) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL16473226 0.84 TRPA1 (0.54) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL15638586 0.83 TGFBR1 (0.62) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL18041659 0.83 MAPK14 (0.57) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL2455100 0.82 GSK3B (1.00) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL18041743 0.82 TGFBR1 (0.60) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL15639974 0.82 TRPA1 (0.52) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL29677032 0.82 TGFBR1 (0.50) GSK3BCLK1CLK2CDK5DYRK1A

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
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