SCHEMBL21159252

SCHEMBL21159252

CC(C)(C)OC(=O)N1CCC[C@H](n2nnc3c(N)ccnc32)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
SRC P12931 4/20 0.41
EGFR P00533 2/20 0.41
FPR2 P25090 1/20 0.41
HCAR1 Q9BXC0 1/20 0.40
BTK Q06187 4/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R2 O00459 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3R5 Q8WYR1 1/20 0.40
PIK3R3 Q92569 1/20 0.40
PARP1 P09874 1/20 0.40
USP30 Q70CQ3 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL21138850 0.85 EGFR (0.50) JAK2JAK1GPR119SRCEGFR
SCHEMBL21138453 0.85 EGFR (0.50) JAK2JAK1GPR119SRCEGFR
SCHEMBL21138452 0.85 EGFR (0.50) JAK2JAK1GPR119SRCEGFR
SCHEMBL21159459 0.81 GPR119 (0.46) JAK2JAK1GPR119SRCEGFR
SCHEMBL21138227 0.81 GPR119 (0.46) JAK2JAK1GPR119SRCEGFR
SCHEMBL21138499 0.81 GPR119 (0.46) JAK2JAK1GPR119SRCEGFR
SCHEMBL22009062 0.73 JAK2 (0.48) JAK2JAK1SRCEGFRFPR2
SCHEMBL21903722 0.73 JAK2 (0.48) JAK2JAK1SRCEGFRFPR2
SCHEMBL21579420 0.73 EGFR (0.48) JAK2SRCEGFRBTKPIK3CD
SCHEMBL6274546 0.73 EGFR (0.48) JAK2SRCEGFRBTKPIK3CD

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-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed