SCHEMBL3378110

SCHEMBL3378110

N#Cc1cccc(C(CC(=O)O)n2cc(-c3ncnc4[nH]ccc34)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 3/20 0.51
JAK2 O60674 16/20 0.49
JAK1 P23458 13/20 0.49
JAK3 P52333 6/20 0.49
TYK2 P29597 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
DAPK3 O43293 2/20 0.49
PAK4 O96013 2/20 0.49
ABL1 P00519 2/20 0.49
RET P07949 2/20 0.49
LTK P29376 2/20 0.49
CSNK1A1 P48729 2/20 0.49
CLK2 P49760 2/20 0.49
TNK2 Q07912 2/20 0.49
ROCK1 Q13464 2/20 0.49
DYRK1A Q13627 2/20 0.49
IKBKE Q14164 2/20 0.49
NTRK3 Q16288 2/20 0.49
NTRK2 Q16620 2/20 0.49
LRRK2 Q5S007 2/20 0.49

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 SCHEMBL22584068 0.95 TYRO3 (0.49) TYRO3JAK2JAK1JAK3TYK2
SCHEMBL101133 0.91 TYRO3 (0.49) TYRO3JAK2JAK1JAK3TYK2
SCHEMBL2144942 0.89 JAK2 (0.59) TYRO3JAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL29540818 0.88 TYRO3 (0.55) TYRO3JAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL20512407 0.88 TYRO3 (0.55) TYRO3JAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL100175 0.88 TYRO3 (0.55) TYRO3JAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL98943 0.88 TYRO3 (0.55) TYRO3JAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL29541025 0.88 TYRO3 (0.55) TYRO3JAK2JAK1JAK3TYK2
SCHEMBL15267801 0.88 JAK2 (0.56) TYRO3JAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL101490 0.88 TYRO3 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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