SCHEMBL2309286

SCHEMBL2309286

O=C1[N]C=Cc2c1c1cc(F)ccc1c1[nH]c(N(CCCN3CCOCC3)CC3CC3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.39
HSD17B10 Q99714 8/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 6/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
TSHR P16473 2/20 0.34
PARP1 P09874 1/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
HTR2A P28223 3/20 0.33
DRD2 P14416 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
PLK1 P53350 1/20 0.32
HTR2C P28335 2/20 0.31
HTR7 P34969 2/20 0.31
CNR2 P34972 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL3310523 0.81 JAK2 (0.45) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL2306444 0.80 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4123024 0.60 ALDH1A1 (0.36) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL3311129 0.59 CHEK1 (0.51) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL3307489 0.58 PIM1 (0.50) KDM4EHSD17B10ALDH1A1SMN1; SMN2PARP1
SCHEMBL2307252 0.58 JAK2 (0.45) KDM4EHSD17B10ALDH1A1SMN1; SMN2PARP1
SCHEMBL8034133 0.58 KDM4E (0.36) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4125201 0.58 PDE5A (0.36) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL2460114 0.57 JAK2 (0.52) KDM4EHSD17B10ALDH1A1
SCHEMBL8043288 0.56 RAB9A (0.35) KDM4EHSD17B10ALDH1A1SMN1; SMN2TSHR

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