SCHEMBL1682886

SCHEMBL1682886

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

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.37
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL1282641 0.92 ABL1 (0.38) ABL1PIK3CAPIK3CG
SCHEMBL1684969 0.91 ABL1 (0.36) ABL1PIK3CAPIK3CG
SCHEMBL1282638 0.91 ABL1 (0.37) ABL1PIK3CAPIK3CG
SCHEMBL1282186 0.91 ABL1 (0.37) ABL1PIK3CAPIK3CG
SCHEMBL1282787 0.91 ABL1 (0.37) ABL1PIK3CAPIK3CG
SCHEMBL1282255 0.91 ABL1 (0.37) ABL1PIK3CG
SCHEMBL1281952 0.90 ABL1 (0.36) ABL1
SCHEMBL1282074 0.90 ABL1 (0.36) ABL1
SCHEMBL1282716 0.89 ABL1 (0.37) ABL1PIK3CAPIK3CG
SCHEMBL1283247 0.88

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