SCHEMBL5273186

SCHEMBL5273186

CCOC(=O)NCc1c(-c2ccc(C)cc2)nc2ccc(Sc3ccccc3)nn12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SLC2A2 P11168 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5269079 0.93 KDM4E (0.38) NPC1RAB9AALDH1A1MAPK1HPGD
SCHEMBL5272192 0.93 KDM4E (0.41) NPC1RAB9AALDH1A1MAPK1HPGD
SCHEMBL5267665 0.92 MAPK1 (0.39) NPC1RAB9AMAPK1SLC2A2
SCHEMBL5269397 0.91 KDM4E (0.36) NPC1RAB9AALDH1A1MAPK1HPGD
SCHEMBL5271977 0.90 FAAH (0.40) NPC1RAB9AALDH1A1MAPK1HPGD
SCHEMBL5271030 0.90 FAAH (0.38) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL5269602 0.89 KDM4E (0.37) NPC1RAB9AALDH1A1MAPK1HPGD
SCHEMBL5274086 0.88 AKT1 (0.39) NPC1RAB9AALDH1A1MAPK1HPGD
SCHEMBL5269494 0.87 NR1H4 (0.41) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL5269620 0.85 KDM4E (0.38) ALDH1A1HPGDKDM4EHSD17B10HTT

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-1845098-A1 Imidazo[1,2-b]pyridazines, their processes of preparation and their use as GABA receptor ligands FERRER INTERNACIONAL, S.A. (ES) 2007-10-17 EP claimed
WO-2007110438-A1 IMIDAZO [1,2 -B] PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INTERNACIONAL, S.A. (ES) 2007-10-04 WO claimed
EP-1845098-A1 Imidazo[1,2-b]pyridazines, their processes of preparation and their use as GABA receptor ligands FERRER INTERNACIONAL, S.A. (ES) 2007-10-17 EP disclosed
WO-2007110438-A1 IMIDAZO [1,2 -B] PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INTERNACIONAL, S.A. (ES) 2007-10-04 WO disclosed