SCHEMBL3137247

SCHEMBL3137247

O=C(O)NCC1(COc2cnc(Cl)c(-c3ccc(-c4nn[nH]n4)cc3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.39
LMNA P02545 1/20 0.37
MAP4K4 O95819 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
P2RX7 Q99572 1/20 0.35
SGK1 O00141 1/20 0.35
AXL P30530 1/20 0.35
CLK1 P49759 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
DYRK1B Q9Y463 2/20 0.35

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
SCHEMBL3151049 0.92 EGLN1 (0.43) EGLN1
SCHEMBL3146674 0.85 CHRNB4 (0.43) MAP4K4FFAR4EGLN1P2RX7
SCHEMBL3151015 0.85 FFAR4 (0.40) FFAR4EGLN1P2RX7
SCHEMBL3147012 0.84 FFAR4 (0.44) FFAR4P2RX7
SCHEMBL3150641 0.84 P2RX7 (0.40) FFAR4EGLN1P2RX7
SCHEMBL3150837 0.84 MAP4K4 (0.43) XDHLMNAMAP4K4L3MBTL1ALDH1A1
SCHEMBL3256998 0.84 FFAR4 (0.42) MAP4K4FFAR4EGLN1P2RX7
SCHEMBL3147063 0.83 P2RX7 (0.44) MAP4K4FFAR4EGLN1P2RX7
Hydrochloric Acid SCHEMBL3154957 0.83 MAP4K4 (0.43) XDHLMNAMAP4K4L3MBTL1ALDH1A1
SCHEMBL3147051 0.83 FFAR4 (0.38) FFAR4EGLN1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed