SCHEMBL477044

SCHEMBL477044

O=C(O)N1C=CC(c2c(C3=CC=C3)nc3ccc(N4CCN(Cc5ccccc5)CC4)nn23)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
HTR7 P34969 4/20 0.36
JAK1 P23458 1/20 0.36
CASP1 P29466 2/20 0.35
CASP5 P51878 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR1A P08908 1/20 0.34
CASP4 P49662 1/20 0.34
AR P10275 1/20 0.34
KCNH2 Q12809 1/20 0.34
DRD4 P21917 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR3E A5X5Y0 1/20 0.34

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
SCHEMBL16495866 0.90 DPP4 (0.41) DPP4NPC1RAB9AALDH1A1MAPT
SCHEMBL477043 0.82 DPP4 (0.41) DPP4HTR7JAK1CASP1CASP5
SCHEMBL477149 0.74 RIPK3 (0.54) DPP4NPC1RAB9A
SCHEMBL10224839 0.73 DPP4 (0.42) DPP4NPC1RAB9AALDH1A1MAPT
SCHEMBL3648535 0.71 CSNK1E (0.48) CASP1NPC1RAB9AALDH1A1MAPT
SCHEMBL477002 0.68 DPP4 (0.45) DPP4CASP1CASP5NPC1RAB9A
SCHEMBL3723415 0.66 MEN1 (0.42) DPP4ALDH1A1MAPTL3MBTL1
SCHEMBL9955687 0.63 DPP4 (0.56) DPP4CASP1CASP5CASP4AR
SCHEMBL9956970 0.63 DPP4 (0.58) DPP4HTR7HTR1AARKCNH2
SCHEMBL9955926 0.62 AR (0.57) DPP4ARKCNH2DRD4DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331546-B1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2012-02-01 EP disclosed
EP-2331546-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF Sanofi-aventis (FR) 2011-06-15 EP disclosed
WO-2010018327-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-02-18 WO disclosed