SCHEMBL5267752

SCHEMBL5267752

Cc1ccc(-c2nc3ccc(Cl)nn3c2CNC(=O)c2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP3A4 P08684 3/20 0.42
MMP2 P08253 1/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
MMP13 P45452 1/20 0.42
MAPK14 Q16539 1/20 0.42
RIPK2 O43353 1/20 0.42
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL5273148 0.88 NAMPT (0.47) NPC1CYP3A4MMP13MEN1CYP1A2
SCHEMBL5268584 0.84 GABRA1 (0.41) CYP3A4MMP2HPGDKDM4ELMNA
SCHEMBL5273077 0.82 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2CYP3A4HPGD
SCHEMBL5270748 0.82 NTRK1 (0.41) CYP3A4HPGDKDM4ELMNAALB
SCHEMBL5272607 0.82 ROCK2 (0.42) NPC1RAB9APKMSMN1; SMN2CYP3A4
SCHEMBL5273489 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL5268891 0.81 KDM4E (0.41) NPC1RAB9ASMN1; SMN2CYP3A4MMP2
SCHEMBL4253167 0.81 GABRA1 (0.56) NPC1RAB9ASMN1; SMN2CYP3A4MMP2
SCHEMBL5271701 0.80 NTRK1 (0.39) SMN1; SMN2CYP3A4HTTHPGDMEN1
SCHEMBL5271931 0.79 TP53 (0.51) NPC1RAB9ASMN1; SMN2CYP3A4HPGD

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