SCHEMBL3936352

SCHEMBL3936352

CN(C)Cc1nc2ncccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.50
NUDT1 P36639 1/20 0.50
CYP2C9 P11712 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
METAP1 P53582 2/20 0.45
METAP2 P50579 1/20 0.45
HPGD P15428 2/20 0.44
DRD4 P21917 1/20 0.44
PDE5A O76074 5/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
WNT1 P04628 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 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
Hydrochloric Acid SCHEMBL9396770 0.98 AURKA (0.49) AURKANUDT1CYP2C9NOS1NOS2
SCHEMBL2314765 0.81 DDAH1 (0.55) AURKANUDT1CYP2C9NOS1NOS2
SCHEMBL7002580 0.80 NUDT1 (0.58) AURKANUDT1CYP2C9NOS1NOS2
SCHEMBL21101319 0.79 CXCR4 (0.48) AURKANUDT1CYP2C9NOS1NOS2
SCHEMBL3960231 0.78 CYP2C9 (0.57) AURKANUDT1CYP2C9NOS1NOS2
SCHEMBL4347800 0.77 NUDT1 (0.55) AURKANUDT1CYP2C9NOS1NOS2
SCHEMBL6216010 0.77 NUDT1 (0.55) AURKANUDT1CYP2C9NOS1NOS2
SCHEMBL31587712 0.77 NUDT1 (0.55) AURKANUDT1CYP2C9NOS1NOS2
SCHEMBL3967813 0.77 NUDT1 (0.55) AURKANUDT1CYP2C9NOS1NOS2
SCHEMBL4773954 0.77 NUDT1 (0.59) AURKANUDT1CYP2C9NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007995-A1 PROCESS FOR PREPARING ZOLPIDEM AND ITS INTERMEDIATE SUVEN LIFE SCIENCES LIMITED (IN) 2009-01-15 WO disclosed
EP-0670838-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO 4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1995-09-13 EP disclosed
WO-1994029307-A1 PYRROLO[3,2-B]PYRIDINYLALKYL BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1994-12-22 WO disclosed
US-5359073-A Substituted-phenyl (N,N'-cycloalkyl/alkyl carboxamide)-1H/3H-imidazo[4,5-b]pyridine compounds as PAF antagonists G. D. SEARLE & CO. (US) 1994-10-25 US disclosed
WO-1994012500-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO[4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1994-06-09 WO disclosed