SCHEMBL17907476

SCHEMBL17907476

N#Cc1cccc(CCn2cc(-c3ncnc4[nH]ccc34)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.54
JAK1 P23458 9/20 0.54
HDAC6 Q9UBN7 10/20 0.52
HDAC1 Q13547 7/20 0.52
JAK3 P52333 5/20 0.51
TYK2 P29597 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
ALK Q9UM73 3/20 0.48
TYRO3 Q06418 1/20 0.45
DAPK3 O43293 2/20 0.45
PAK4 O96013 2/20 0.45
ABL1 P00519 2/20 0.45
RET P07949 2/20 0.45

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
SCHEMBL29540938 0.90 JAK2 (0.60) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL100638 0.90 JAK2 (0.60) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL17219905 0.85 ALK (0.52) JAK2JAK1JAK3TYK2ALK
SCHEMBL101593 0.79 JAK2 (0.62) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL103224 0.78 JAK2 (0.49) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL27947529 0.76 JAK2 (0.61) JAK2JAK1JAK3TYK2ALK
SCHEMBL13695723 0.76 JAK2 (0.65) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL2144942 0.76 JAK2 (0.59) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL101199 0.75 JAK2 (0.54) JAK2JAK1HDAC6HDAC1JAK3
SCHEMBL29540833 0.75 JAK2 (0.54) JAK2JAK1HDAC6HDAC1JAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042655-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Holdings Corporation (US) 2016-07-13 EP disclosed