SCHEMBL2175890

SCHEMBL2175890

O=C(O)NC1(c2ccc(Nc3nc(-c4cccc(N5CCOCC5)n4)ccc3[N+](=O)[O-])cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
CNR1 P21554 1/20 0.37
ZAP70 P43403 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
AKT1 P31749 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL15157752 1.00 RAB9A (0.41) RAB9ANPC1ADORA2AADORA1CNR1
SCHEMBL14320777 0.91 MAPT (0.40) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL14320780 0.91 MAPT (0.40) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL12420321 0.86 TDP1 (0.41) RAB9ANPC1ADORA2AADORA1CNR1
SCHEMBL14321994 0.84 MAPT (0.45) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL14321995 0.84 MAPT (0.45) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL2175650 0.83 RAB9A (0.37) RAB9ANPC1ADORA2AADORA1CNR1
SCHEMBL14321285 0.83 ALDH1A1 (0.46) RAB9ANPC1CNR1MAPTALDH1A1
SCHEMBL14321281 0.83 ALDH1A1 (0.46) RAB9ANPC1CNR1MAPTALDH1A1
SCHEMBL14322311 0.83 PIM1 (0.45) RAB9AMAPTALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed