SCHEMBL1684969

SCHEMBL1684969

Bc1cc(-c2cnc(N3CCC(CC)(C(=O)OCC)CC3)nc2)cc2nc(NC(=O)NCC)sc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.36
PIK3CG P48736 2/20 0.34
PIK3CA P42336 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1283035 0.91 ABL1 (0.37) ABL1PIK3CGPIK3CANPC1RAB9A
SCHEMBL1682886 0.91 ABL1 (0.37) ABL1PIK3CGPIK3CA
SCHEMBL1282693 0.89 ABL1 (0.35) ABL1PIK3CGPIK3CANPC1RAB9A
SCHEMBL1282944 0.89 ABL1 (0.37) ABL1PIK3CGPIK3CA
SCHEMBL1282855 0.89 ABL1 (0.36) ABL1PIK3CGPIK3CA
SCHEMBL1282609 0.89 ABL1 (0.35) ABL1PIK3CGPIK3CA
SCHEMBL1282707 0.86 ABL1 (0.35) ABL1PIK3CGPIK3CA
SCHEMBL1282741 0.86 ABL1 (0.34) ABL1PIK3CGPIK3CA
SCHEMBL1282740 0.86 ABL1 (0.34) ABL1PIK3CGPIK3CA
SCHEMBL1684137 0.85 ABL1 (0.33) ABL1PIK3CGPIK3CA

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-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO disclosed