SCHEMBL7977693

SCHEMBL7977693

CCOC(=O)c1nc(-c2ccc(N3CCC(CN(C)C)CC3)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
CLK2 P49760 1/20 0.46
MAP4K2 Q12851 1/20 0.46
CAMK2D Q13557 1/20 0.46
DYRK1A Q13627 1/20 0.46
PIM3 Q86V86 1/20 0.46
AURKB Q96GD4 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
STK17A Q9UEE5 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46
SIRT2 Q8IXJ6 3/20 0.45
SIRT1 Q96EB6 3/20 0.45
SIRT3 Q9NTG7 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 3/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42

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
SCHEMBL7995223 0.89 PRKD3 (0.47) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL7977742 0.88 PRKD3 (0.49) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL7978074 0.88 DGAT1 (0.40) MAPT
SCHEMBL7991809 0.86 SIRT2 (0.59) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL7989667 0.85 SIRT2 (0.61) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL7977895 0.84 SIRT2 (0.61) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL7977730 0.84 SIRT2 (0.50) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL7991536 0.83 SIRT2 (0.52) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL7988148 0.83 PRKD3 (0.45) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL7989731 0.83 SIRT2 (0.49) PRKD3MAP4K4PIM1CLK2MAP4K2

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed