SCHEMBL28751296

SCHEMBL28751296

O/C=C/Cc1cccc(-c2ncccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 2/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ HCRTR1 O43613 7/20 0.38
▸ HCRTR2 O43614 7/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ CETP P11597 1/20 0.36
▸ CYP2A6 P11509 1/20 0.35
▸ F2 P00734 2/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ KAT6A Q92794 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ARG2 P78540 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
SCHEMBL6850763 0.81 CLK4 (0.44) CLK4DYRK1AADRB2HCRTR1HCRTR2
SCHEMBL27613062 0.81 ADRB2 (0.53) CLK4ADRB2CYP2A6CA1CA2
SCHEMBL9796607 0.79 PTGS2 (0.44) CLK4DYRK1AADRB2HCRTR1HCRTR2
SCHEMBL2130914 0.77 PRKCI (0.61) CLK4DYRK1AADRB2HCRTR1HCRTR2
SCHEMBL27594273 0.74 CLK4 (0.39) CLK4DYRK1AADRB2HCRTR1HCRTR2
SCHEMBL27612832 0.73 AOC3 (0.37) CLK4DYRK1AADRB2KAT6A
SCHEMBL112429 0.73 ADRB2 (0.68) CLK4DYRK1AADRB2CYP2A6
SCHEMBL20738473 0.73 CLK4 (0.47) CLK4DYRK1AADRB2HCRTR1HCRTR2
SCHEMBL6848165 0.73 CLK4 (0.47) CLK4DYRK1AADRB2HCRTR1HCRTR2
SCHEMBL2021727 0.73 CLK4 (0.47) CLK4DYRK1AADRB2HCRTR1HCRTR2

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-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 — — CN disclosed
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