SCHEMBL3375929

SCHEMBL3375929

Cc1c[c]ccc1-n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.47
JAK1 P23458 11/20 0.47
JAK3 P52333 8/20 0.45
HDAC6 Q9UBN7 7/20 0.45
RET P07949 4/20 0.45
ROCK1 Q13464 4/20 0.45
TYK2 P29597 4/20 0.45
DAPK3 O43293 3/20 0.45
PAK4 O96013 3/20 0.45
LTK P29376 3/20 0.45
CSNK1A1 P48729 3/20 0.45
CLK2 P49760 3/20 0.45
TNK2 Q07912 3/20 0.45
DYRK1A Q13627 3/20 0.45
IKBKE Q14164 3/20 0.45
NTRK3 Q16288 3/20 0.45
LRRK2 Q5S007 3/20 0.45
CAMK1D Q8IU85 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
ALK Q9UM73 3/20 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
SCHEMBL3378515 0.83 GRM4 (0.58) JAK2JAK1JAK3RETROCK1
SCHEMBL99671 0.78 JAK2 (0.46) JAK2JAK1JAK3HDAC6RET
SCHEMBL101518 0.78 JAK2 (0.55) JAK2JAK1JAK3HDAC6RET
SCHEMBL102886 0.78 JAK2 (0.49) JAK2JAK1JAK3HDAC6RET
SCHEMBL13286408 0.73 AURKA (0.62) JAK2JAK1JAK3HDAC6RET
SCHEMBL30589328 0.73 AURKA (0.62) JAK2JAK1JAK3HDAC6RET
SCHEMBL3377808 0.73 JAK2 (0.50) JAK2JAK1JAK3HDAC6RET
Acetonitrile SCHEMBL18036542 0.72 JAK2 (0.52) JAK2JAK1JAK3HDAC6RET
SCHEMBL3376129 0.72 JAK2 (0.49) JAK2JAK1JAK3HDAC6RET
Trifluoroacetic Acid SCHEMBL101916 0.72 JAK2 (0.49) JAK2JAK1JAK3HDAC6TYK2

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