SCHEMBL171544

SCHEMBL171544

O=C(F)Nc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.69
GAA P10253 2/20 0.69
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
MAPT P10636 2/20 0.61
ALDH1A1 P00352 2/20 0.56
GSK3B P49841 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 1/20 0.56
FABP7 O15540 1/20 0.54
EPHX1 P07099 1/20 0.54
HDAC1 Q13547 1/20 0.54

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
SCHEMBL30393282 0.83 KDM4E (0.82) KDM4EGAARAB9ANPC1MEN1
SCHEMBL1276481 0.83 KDM4E (0.82) KDM4EGAARAB9ANPC1MEN1
SCHEMBL11291466 0.83 NPC1 (0.79) KDM4EGAARAB9ANPC1MEN1
SCHEMBL79802 0.82 KDM4E (1.00) KDM4EGAARAB9ANPC1MEN1
SCHEMBL194474 0.82 KDM4E (0.71) KDM4EGAARAB9ANPC1MEN1
SCHEMBL194475 0.82 KDM4E (0.71) KDM4EGAARAB9ANPC1MEN1
SCHEMBL28884900 0.81 KDM4E (0.67) KDM4EGAARAB9ANPC1MEN1
SCHEMBL24334044 0.80 KDM4E (0.69) KDM4EGAARAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL11157390 0.80 KDM4E (0.69) KDM4EGAARAB9ANPC1MEN1
SCHEMBL357522 0.80 KDM4E (0.69) KDM4EGAARAB9ANPC1MEN1

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
EP-2426129-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-03-07 EP disclosed
EP-2348023-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-27 EP disclosed
EP-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed
EP-2343298-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed