SCHEMBL21585151

SCHEMBL21585151

CNC(O)c1c(N)nn2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.43
JAK3 P52333 12/20 0.43
SMPD3 Q9NY59 1/20 0.38
PIK3CG P48736 5/20 0.38
HTR6 P50406 2/20 0.36
FLT3 P36888 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3R2 O00459 1/20 0.36

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
SCHEMBL3707696 0.80 PIK3CG (0.49) JAK2JAK3SMPD3PIK3CGFLT3
SCHEMBL21585146 0.71 PIK3CG (0.44) JAK2JAK3SMPD3PIK3CGPIK3CD
SCHEMBL15308491 0.71 PIK3CG (0.49) JAK2JAK3SMPD3PIK3CG
SCHEMBL17657815 0.71 PIK3CG (0.49) JAK2JAK3PIK3CGPIK3CDPIK3CA
SCHEMBL5741027 0.70 SMPD3 (0.50) JAK2JAK3SMPD3PIK3CG
SCHEMBL22161943 0.70 SMPD3 (0.47) SMPD3
SCHEMBL24880503 0.70 JAK2 (0.41) JAK2JAK3SMPD3PIK3CG
SCHEMBL21555751 0.70 JAK2 (0.41) JAK2JAK3SMPD3PIK3CG
SCHEMBL21555747 0.69 HTR6 (0.49) JAK2JAK3SMPD3PIK3CGHTR6
SCHEMBL21555749 0.68 JAK2 (0.40) JAK2JAK3SMPD3PIK3CG

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-2019228404-A1 NOVEL PHOSPHOINOSITIDE 3-KINASE INHIBITOR AND PREPARATION METHOD AND USE THEREOF 信达生物制药(苏州)有限公司 (CN) 2019-12-05 WO disclosed