SCHEMBL4254398

SCHEMBL4254398

C(=NCCN=Cc1ncc2ccccc2n1)c1ncc2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GPR3 P46089 1/20 0.37
EGFR P00533 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 6/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
GLA P06280 1/20 0.34
MAPT P10636 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
SCHEMBL4254395 1.00 HTR3A (0.38) HTR3AHRH4KDM4EGPR3EGFR
SCHEMBL1784501 0.77 KDM4E (0.45) HTR3AHRH4KDM4EGPR3EGFR
SCHEMBL4812818 0.73 CYP1A2 (0.42) HTR3AHRH4KDM4EGPR3EGFR
SCHEMBL27545204 0.73 KDM4E (0.42) HTR3AHRH4KDM4EGPR3EGFR
SCHEMBL31511445 0.73 KDM4E (0.42) HTR3AHRH4KDM4EGPR3EGFR
SCHEMBL6597825 0.73 KDM4E (0.42) HTR3AHRH4KDM4EGPR3EGFR
SCHEMBL2008080 0.73 KDM4E (0.42) HTR3AHRH4KDM4EGPR3EGFR
SCHEMBL2804480 0.73 KDM4E (0.42) HTR3AHRH4KDM4EGPR3EGFR
SCHEMBL4249755 0.72 L3MBTL1 (0.43) HTR3AHRH4KDM4EGPR3EGFR
SCHEMBL4249760 0.72 L3MBTL1 (0.43) HTR3AHRH4KDM4EGPR3EGFR

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
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US claimed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 US claimed
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US disclosed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 US disclosed