SCHEMBL1740432

SCHEMBL1740432

COc1ccc2ncc(OCCNC3CCNCC3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.52
KDM4E B2RXH2 2/20 0.46
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.41
DYRK1A Q13627 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR4 P22455 2/20 0.39
FGFR3 P22607 2/20 0.39

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
SCHEMBL1740687 0.81 HPGDS (0.50) HPGDSKDM4EIRAK4DYRK1APDGFRB
SCHEMBL1741939 0.77 HPGDS (0.48) HPGDSKDM4EIRAK4DYRK1APDGFRB
SCHEMBL2169923 0.73 PDGFRB (0.42) HPGDSKDM4EPDGFRBPDGFRACYP1A2
SCHEMBL15661914 0.72 PDGFRB (0.39) HPGDSKDM4EPDGFRBPDGFRACYP1A2
SCHEMBL622368 0.71 FGFR3 (0.49) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL15662779 0.70 FGFR3 (0.40) KDM4EPDGFRBPDGFRALMNAFGFR1
Hydrochloric Acid SCHEMBL23360380 0.69 PDGFRB (0.51) HPGDSKDM4EIRAK4DYRK1APDGFRB
Hydrochloric Acid SCHEMBL29862714 0.69 HPGDS (0.62) HPGDSIRAK4DYRK1APDGFRBPDGFRA
Hydrochloric Acid SCHEMBL23360217 0.69 HPGDS (0.62) HPGDSIRAK4DYRK1APDGFRBPDGFRA
SCHEMBL15661703 0.69 FGFR3 (0.42) PDGFRBPDGFRAFGFR1FGFR2FGFR4

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-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO disclosed