SCHEMBL25026427

SCHEMBL25026427

BC1(O)C([C@@H](CC#N)n2cc(-c3ncnc4[nH]ccc34)cn2)C(B)(O)C(B)(O)C1(B)B

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.65
JAK2 O60674 13/20 0.65
JAK3 P52333 9/20 0.65
TYK2 P29597 4/20 0.65
RET P07949 3/20 0.65
ROCK1 Q13464 3/20 0.65
DAPK3 O43293 2/20 0.65
PAK4 O96013 2/20 0.65
ABL1 P00519 2/20 0.65
LTK P29376 2/20 0.65
CSNK1A1 P48729 2/20 0.65
CLK2 P49760 2/20 0.65
TNK2 Q07912 2/20 0.65
DYRK1A Q13627 2/20 0.65
IKBKE Q14164 2/20 0.65
NTRK3 Q16288 2/20 0.65
NTRK2 Q16620 2/20 0.65
LRRK2 Q5S007 2/20 0.65
TAOK1 Q7L7X3 2/20 0.65
CAMK1D Q8IU85 2/20 0.65

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
SCHEMBL19273727 0.88 JAK2 (0.70) JAK1JAK2JAK3TYK2RET
SCHEMBL24629228 0.87 JAK2 (0.70) JAK1JAK2JAK3TYK2RET
SCHEMBL22864595 0.86 JAK2 (0.72) JAK1JAK2JAK3TYK2RET
SCHEMBL98692 0.81 JAK2 (0.92) JAK1JAK2JAK3TYK2RET
SCHEMBL3008701 0.81 JAK2 (0.92) JAK1JAK2JAK3TYK2RET
SCHEMBL12359863 0.80 JAK2 (0.78) JAK1JAK2JAK3TYK2RET
SCHEMBL12713364 0.80 JAK2 (0.81) JAK1JAK2JAK3TYK2RET
SCHEMBL12713361 0.80 JAK2 (0.81) JAK1JAK2JAK3TYK2RET
SCHEMBL1612133 0.80 JAK2 (0.81) JAK1JAK2JAK3TYK2RET
SCHEMBL12738278 0.80 JAK2 (0.81) JAK1JAK2JAK3TYK2RET

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-2023018904-A1 TREATMENT OF HAIR LOSS DISORDERS WITH DEUTERATED JAK INHIBITORS CONCERT PHARMACEUTICALS, INC. (US) 2023-02-16 WO disclosed