SCHEMBL1684099

SCHEMBL1684099

C=Cc1cc(-c2cnc(N3CCC(CC)(C(=O)OCC)CC3)nc2)cc2nc(N(CNC)C(=O)NCC)sc12

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL1685388 0.94 PIK3R1 (0.30) PIK3R1PIK3CA
SCHEMBL1685384 0.91
SCHEMBL1682979 0.84
SCHEMBL10235357 0.84
SCHEMBL1684097 0.84
SCHEMBL10237722 0.83
SCHEMBL1682978 0.82 GAK (0.32)
SCHEMBL1282944 0.78 ABL1 (0.37) PIK3CA
SCHEMBL1283189 0.77 ABL1 (0.37) PIK3CA
SCHEMBL1283033 0.77 RET (0.32) PIK3R1PIK3CA

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