SCHEMBL2306444

SCHEMBL2306444

O=C1[N]C=Cc2c1c1cc(F)ccc1c1[nH]c(OCCCN3CCOCC3)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HTR6 P50406 1/20 0.36
KCNH2 Q12809 1/20 0.36
FLT3 P36888 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
SCHEMBL2303863 0.84 PIM1 (0.47) KDM4EHSD17B10ALDH1A1SMN1; SMN2HTT
SCHEMBL2309286 0.80 KDM4E (0.39) KDM4EHSD17B10ALDH1A1SMN1; SMN2HTT
SCHEMBL3311129 0.78 CHEK1 (0.51) KDM4EHSD17B10ALDH1A1SMN1; SMN2HTT
SCHEMBL3310173 0.69 JAK2 (0.52) HRH3KCNH2
SCHEMBL3307489 0.62 PIM1 (0.50) KDM4EHSD17B10ALDH1A1SMN1; SMN2HTT
SCHEMBL21327593 0.59 CSF1R (0.74) KDM4EHTR1ADRD2HTR2AHRH3
SCHEMBL3461900 0.59 KDM4E (0.55) KDM4EHSD17B10ALDH1A1SMN1; SMN2HTT
SCHEMBL5493936 0.58 PIK3CD (0.57) ALDH1A1CYP1A2HTR2AHRH3HRH1
SCHEMBL9930559 0.57 HRH3 (0.52) HTTHRH3KCNH2FLT3PARP1
SCHEMBL5374851 0.56 HTR1A (0.58) HTR1ADRD2HTR2AHRH3HTR2C

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
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO claimed
EP-2349260-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Corporation (US) 2011-08-03 EP disclosed
WO-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 WO disclosed