SCHEMBL2878571

SCHEMBL2878571

NC(=O)C=Cc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
KDM4E B2RXH2 6/20 0.57
HPGD P15428 5/20 0.57
PKM P14618 3/20 0.57
HSP90AA1 P07900 1/20 0.57
IKBKB O14920 4/20 0.52
CHUK O15111 4/20 0.52
AKT1 P31749 4/20 0.52
AKT2 P31751 4/20 0.52
AKT3 Q9Y243 4/20 0.52
PADI4 Q9UM07 2/20 0.52
MAPT P10636 6/20 0.51
LMNA P02545 5/20 0.51
GAA P10253 3/20 0.51
HTT P42858 3/20 0.51

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
SCHEMBL9453485 0.85 RAB9A (0.63) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9453486 0.85 RAB9A (0.63) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5117216 0.85 CYP3A4 (0.54) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL22333163 0.84 SMN1; SMN2 (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL1086983 0.80 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL29539476 0.80 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL1086985 0.80 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL28352418 0.80 SMN1; SMN2 (0.53) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6598420 0.77 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL11325644 0.74 NPC1 (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A

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
EP-1980561-B1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP disclosed
EP-2002836-B1 Cyclocondensed azaindoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2010-10-20 EP disclosed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed
EP-2002836-A1 Cyclocondensed azaindoles active as kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed
EP-1980561-A1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-10-15 EP disclosed