SCHEMBL17907482

SCHEMBL17907482

CC(C(=O)O)C(c1cccc(C#N)c1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.48
JAK2 O60674 17/20 0.48
JAK1 P23458 15/20 0.48
JAK3 P52333 10/20 0.48
TYK2 P29597 6/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
DAPK3 O43293 2/20 0.46
PAK4 O96013 2/20 0.46
ABL1 P00519 2/20 0.46
RET P07949 2/20 0.46
LTK P29376 2/20 0.46
CSNK1A1 P48729 2/20 0.46

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
Trifluoroacetic Acid SCHEMBL2440607 0.95 TYRO3 (0.47) TYRO3JAK2JAK1JAK3TYK2
SCHEMBL29540833 0.86 JAK2 (0.54) TYRO3JAK2JAK1JAK3TYK2
SCHEMBL101199 0.86 JAK2 (0.54) TYRO3JAK2JAK1JAK3TYK2
SCHEMBL3378110 0.84 TYRO3 (0.51) TYRO3JAK2JAK1JAK3TYK2
SCHEMBL101133 0.82 TYRO3 (0.49) TYRO3JAK2JAK1JAK3TYK2
SCHEMBL15267801 0.82 JAK2 (0.56) TYRO3JAK2JAK1JAK3TYK2
SCHEMBL2144942 0.81 JAK2 (0.59) TYRO3JAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL100175 0.81 TYRO3 (0.55) TYRO3JAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL98943 0.81 TYRO3 (0.55) TYRO3JAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL20512407 0.81 TYRO3 (0.55) TYRO3JAK2JAK1JAK3TYK2

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