SCHEMBL18250072

SCHEMBL18250072

COC(Cn1nc(I)c2c(N)ncnc21)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 5/20 0.53
▸ PIK3CD O00329 5/20 0.53
▸ MTOR P42345 5/20 0.53
▸ PIK3CA P42336 4/20 0.53
▸ ABL1 P00519 4/20 0.53
▸ PIK3CB P42338 3/20 0.53
▸ FYN P06241 6/20 0.44
▸ SRC P12931 4/20 0.44
▸ KDR P35968 3/20 0.44
▸ DYRK3 O43781 2/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ ROS1 P08922 2/20 0.44
▸ RPS6KB1 P23443 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CSNK1A1 P48729 2/20 0.44
▸ CSNK1D P48730 2/20 0.44
▸ CLK2 P49760 2/20 0.44
▸ IRAK1 P51617 2/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44

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
SCHEMBL30877161 0.86 MTOR (0.54) PIK3CGPIK3CDMTORPIK3CAABL1
SCHEMBL18250077 0.86 MTOR (0.54) PIK3CGPIK3CDMTORPIK3CAABL1
SCHEMBL17962785 0.84 FYN (0.49) PIK3CGPIK3CDMTORPIK3CAABL1
SCHEMBL20533626 0.82 ADORA2A (0.49) PIK3CGPIK3CDMTORPIK3CAABL1
SCHEMBL17936088 0.81 MAPK1 (0.47) PIK3CGPIK3CDMTORPIK3CAABL1
SCHEMBL19500708 0.80 SRC (0.56) PIK3CGPIK3CDMTORPIK3CAABL1
SCHEMBL19500707 0.80 SRC (0.56) PIK3CGPIK3CDMTORPIK3CAABL1
SCHEMBL868744 0.79 PIK3CD (0.51) PIK3CGPIK3CDMTORPIK3CAABL1
SCHEMBL24096870 0.79 SRC (0.45) PIK3CGPIK3CDMTORPIK3CAABL1
SCHEMBL17714345 0.77 FYN (0.72) PIK3CGPIK3CDPIK3CAABL1PIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849050-B Compound (I) 爱丁堡大学董事会 2020-10-13 — — CN disclosed
EP-3298015-A1 COMPOUNDS The University Court of the University of Edinburgh (GB) 2018-03-28 — — EP disclosed
WO-2016185160-A1 COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-11-24 — — WO disclosed
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