SCHEMBL10032449

SCHEMBL10032449

c1ccc2c(-c3ccc4ccc5ccc(-c6ccc7ccc(-c8ccc9ccc%10ccc(-c%11cccc%12ccccc%11%12)cc%10c9n8)cc7c6)nc5c4c3)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.46
CLK2 P49760 1/20 0.41
HIPK1 Q86Z02 1/20 0.41
DYRK2 Q92630 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
HIPK3 Q9H422 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
GSTP1 P09211 1/20 0.38
MAOB P27338 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
CYP1A2 P05177 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37

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
SCHEMBL10032515 0.92 ENPP1 (0.47) PIM1CLK2HIPK1DYRK2HIPK2
SCHEMBL10032405 0.91 CA12 (0.43) PIM1CLK2HIPK1DYRK2HIPK2
SCHEMBL10032408 0.91 PIM1 (0.40) PIM1CLK2HIPK1DYRK2HIPK2
SCHEMBL10032530 0.91 CA12 (0.43) PIM1CLK2HIPK1DYRK2HIPK2
SCHEMBL10032379 0.91 ENPP1 (0.46) PIM1CLK2HIPK1DYRK2HIPK2
SCHEMBL10032403 0.90 CA12 (0.45) PIM1CLK2HIPK1DYRK2HIPK2
SCHEMBL10032354 0.90 ENPP1 (0.48) PIM1CLK2HIPK1DYRK2HIPK2
SCHEMBL10032398 0.88 ENPP1 (0.47) PIM1CLK2HIPK1DYRK2HIPK2
SCHEMBL10032298 0.88 PIM1 (0.48) PIM1CLK2HIPK1DYRK2HIPK2
SCHEMBL10032323 0.88 MCL1 (0.42) PIM1MCL1ACMSDENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed