SCHEMBL5272192

SCHEMBL5272192

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 4/20 0.41
TSHR P16473 2/20 0.41
NOTUM Q6P988 2/20 0.38
LRRK2 Q5S007 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 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
SCHEMBL5273186 0.93 NPC1 (0.42) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL5271977 0.92 FAAH (0.40) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL5271030 0.92 FAAH (0.38) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL5269602 0.91 KDM4E (0.37) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL5269494 0.90 NR1H4 (0.41) KDM4EALDH1A1HSD17B10LRRK2NPC1
SCHEMBL5267665 0.90 MAPK1 (0.39) NPC1RAB9AMAPK1LMNANR1H4
SCHEMBL5269397 0.89 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL5269079 0.89 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL5274086 0.88 AKT1 (0.39) KDM4EALDH1A1HSD17B10HPGDNOTUM
SCHEMBL5269620 0.87 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDTSHR

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