SCHEMBL8176307

SCHEMBL8176307

CC(=O)c1cn2cc(F)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
EGLN1 Q9GZT9 4/20 0.47
MAP3K5 Q99683 1/20 0.47
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
METTL3 Q86U44 2/20 0.42
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A3 P47895 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TGFBR1 P36897 1/20 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
SCHEMBL870792 0.86 PTGS1 (0.59) APPEGLN1MAP3K5CLK1DYRK1A
SCHEMBL16104299 0.84 CLK1 (0.55) APPEGLN1MAP3K5CLK1DYRK1A
Hydrochloric Acid SCHEMBL1422913 0.84 PTGS1 (0.57) APPEGLN1MAP3K5CLK1DYRK1A
SCHEMBL5338541 0.83 EGLN1 (0.47) APPEGLN1MAP3K5CLK1DYRK1A
SCHEMBL16376280 0.82 RAB9A (0.50) APPEGLN1MAP3K5PTGS1PTGS2
SCHEMBL15223780 0.81 HRH4 (0.41) EGLN1MAP3K5PTGS1PTGS2HRH4
SCHEMBL4098270 0.80 KDM4E (0.64) EGLN1KDM4EPOLB
SCHEMBL20646875 0.79 HRH4 (0.61) APPEGLN1MAP3K5CLK1DYRK1A
SCHEMBL18883283 0.79 HRH4 (0.40) APPEGLN1PTGS1PTGS2HRH4
SCHEMBL1500263 0.79 PIK3CG (0.51) APPEGLN1MAP3K5CLK1DYRK1A

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-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed