SCHEMBL5269079

SCHEMBL5269079

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
SLC2A2 P11168 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
ATM Q13315 1/20 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
SCHEMBL5273186 0.93 NPC1 (0.42) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL5272192 0.89 KDM4E (0.41) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL5267665 0.89 MAPK1 (0.39) NPC1RAB9AMAPK1SLC2A2TP53
SCHEMBL5271030 0.89 FAAH (0.38) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL5269397 0.88 KDM4E (0.36) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL5269602 0.86 KDM4E (0.37) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL5269494 0.85 NR1H4 (0.41) KDM4ENPC1RAB9AALDH1A1HSD17B10
SCHEMBL5274086 0.85 AKT1 (0.39) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL5269906 0.84 ALDH1A1 (0.41) KDM4EHPGDALDH1A1MAPK1SLC2A2
SCHEMBL5272607 0.81 ROCK2 (0.42) KDM4EHPGDNPC1RAB9AALDH1A1

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-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
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