SCHEMBL21478092

SCHEMBL21478092

COc1cc(N2CCC(N3CCN(I)CC3)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.87
INSR P06213 5/20 0.87
IGF1R P08069 4/20 0.87
FES P07332 3/20 0.87
FLT3 P36888 3/20 0.87
BMPR1B O00238 2/20 0.87
PLK4 O00444 2/20 0.87
GAK O14976 2/20 0.87
ERN1 O75460 2/20 0.87
STK10 O94804 2/20 0.87
ABL1 P00519 2/20 0.87
EGFR P00533 2/20 0.87
LCK P06239 2/20 0.87
FYN P06241 2/20 0.87
YES1 P07947 2/20 0.87
HCK P08631 2/20 0.87
ROS1 P08922 2/20 0.87
FER P16591 2/20 0.87
EPHA2 P29317 2/20 0.87
LTK P29376 2/20 0.87

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
Asp-3026 SCHEMBL2827739 0.93 ALK (1.00) ALKINSRIGF1RFESFLT3
Asp-3026 SCHEMBL31142530 0.93 ALK (1.00) ALKINSRIGF1RFESFLT3
Asp-3026 SCHEMBL29354559 0.93 ALK (1.00) ALKINSRIGF1RFESFLT3
Asp-3026 SCHEMBL30090555 0.93 ALK (1.00) ALKINSRIGF1RFESFLT3
SCHEMBL2823904 0.93 ALK (0.88) ALKINSRIGF1RFESFLT3
SCHEMBL14866656 0.93 ALK (0.88) ALKINSRIGF1RFESFLT3
SCHEMBL14866411 0.93 ALK (0.88) ALKINSRIGF1RFESFLT3
SCHEMBL14866446 0.92 ALK (0.87) ALKINSRIGF1RFESFLT3
SCHEMBL22493266 0.92 ALK (0.85) ALKINSRIGF1RFESFLT3
SCHEMBL14866379 0.91 ALK (0.94) ALKINSRIGF1RFESFLT3

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-2019196812-A1 PROTEIN DEGRADATION TARGETING COMPOUND, ANTI-TUMOR APPLICATION, INTERMEDIATE THEREOF AND USE OF INTERMEDIATE 上海科技大学 2019-10-17 WO disclosed