SCHEMBL4727972

SCHEMBL4727972

COc1cccc(C(O)CNc2ccnc(Cl)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.54
FAAH O00519 4/20 0.52
CLK4 Q9HAZ1 6/20 0.45
DYRK1A Q13627 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 3/20 0.42
CYP2C19 P33261 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL4725654 0.84 FAAH (0.49) FAAHCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL14292059 0.83 EGFR (0.52) AOC3FAAHCLK4DYRK1AMEN1
SCHEMBL14292785 0.82 EGFR (0.56) AOC3FAAHMAPK1MAPT
SCHEMBL14292475 0.82 FAAH (0.47) AOC3FAAHCLK4CYP2D6CYP1A2
SCHEMBL4779907 0.82 EGFR (0.65) AOC3FAAHMEN1LMNAKMT2A
SCHEMBL4780125 0.82 FAAH (0.51) FAAHCYP2D6
SCHEMBL4726563 0.81 MEN1 (0.56) AOC3FAAHCLK4DYRK1AMEN1
SCHEMBL4728074 0.81 EGFR (0.58) AOC3FAAHMEN1LMNAKMT2A
SCHEMBL14292081 0.81 CYP2D6 (0.61) AOC3FAAHL3MBTL1CYP2D6MAPK1
SCHEMBL4726854 0.81 CYP2D6 (0.61) AOC3FAAHL3MBTL1CYP2D6MAPK1

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
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed