SCHEMBL2303863

SCHEMBL2303863

O=C1[N]C=Cc2c1c1cc(F)ccc1c1[nH]c(NCCCN3CCOCC3)nc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.47
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FLT3 P36888 2/20 0.38
PARP1 P09874 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NME2 P22392 1/20 0.37

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
SCHEMBL2306444 0.84 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HTTSMN1; SMN2
SCHEMBL2309286 0.79 KDM4E (0.39) KDM4EHSD17B10ALDH1A1HTTSMN1; SMN2
SCHEMBL3307489 0.78 PIM1 (0.50) PIM1POLBGAAKDM4EHSD17B10
SCHEMBL10324538 0.66 PIM1 (1.00) PIM1POLBGAATSHR
SCHEMBL3314032 0.64 RAB9A (0.42) PIM1GAAKDM4EHSD17B10ALDH1A1
SCHEMBL3305580 0.63 JAK2 (0.49) PIM1POLBKDM4EHSD17B10ALDH1A1
SCHEMBL3311129 0.62 CHEK1 (0.51) PIM1KDM4EHSD17B10ALDH1A1HTT
SCHEMBL8243016 0.62 LMNA (0.58) POLBGAAKDM4EALDH1A1HTT
SCHEMBL18226161 0.62 CHRNA7 (0.48) PIM1GAAALDH1A1HTTSMN1; SMN2
SCHEMBL24559426 0.62 POLB (1.00) PIM1POLBGAAHSD17B10ALDH1A1

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-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