SCHEMBL25035690

SCHEMBL25035690

CO/C=C/c1c(N)ncnc1-c1cnn(CC2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.40
JAK2 O60674 11/20 0.40
LRRK2 Q5S007 1/20 0.39
JAK1 P23458 6/20 0.39
TYK2 P29597 4/20 0.39
BTK Q06187 4/20 0.39
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
BMPR1A P36894 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
ADORA2A P29274 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL25035698 0.90 LRRK2 (0.38) JAK3JAK2LRRK2JAK1TYK2
SCHEMBL25035651 0.79 JAK3 (0.32) JAK3JAK2JAK1TYK2BTK
SCHEMBL22343519 0.78 JAK3 (0.41) JAK3JAK2LRRK2JAK1TYK2
SCHEMBL25034420 0.78 JAK2 (0.32) JAK3JAK2JAK1TYK2BTK
SCHEMBL25035696 0.75 JAK2 (0.57) JAK3JAK2LRRK2JAK1TYK2
SCHEMBL25035730 0.74 LRRK2 (0.39) JAK3JAK2LRRK2JAK1TYK2
SCHEMBL22343551 0.74 LRRK2 (0.39) JAK3JAK2LRRK2JAK1TYK2
SCHEMBL25035697 0.74 JAK2 (0.32) JAK3JAK2JAK1TYK2
SCHEMBL25035644 0.69
SCHEMBL10315626 0.68 JAK2 (0.59) JAK3JAK2LRRK2JAK1TYK2

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
WO-2023018954-A1 TREATMENT OF JAK-INHIBITION-RESPONSIVE DISORDERS WITH PRODRUGS OF JAK INHIBITORS CONCERT PHARMACEUTICALS, INC. (US) 2023-02-16 WO disclosed