SCHEMBL10180586

SCHEMBL10180586

CCCOc1ccc(CN2CCN(C(=O)c3cc4cc(Oc5ccc(N(C)C(=O)c6ccc(C(F)(F)F)cc6)cn5)ccc4n3C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 19/20 0.54
PIK3CA P42336 1/20 0.51
PRKAA2 P54646 1/20 0.51

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
Maleic Acid SCHEMBL3058929 0.96 STAT3 (0.51) STAT3PIK3CAPRKAA2
Fumaric Acid SCHEMBL3058932 0.96 STAT3 (0.51) STAT3PIK3CAPRKAA2
SCHEMBL10181093 0.95 STAT3 (0.60) STAT3
SCHEMBL10180482 0.95 STAT3 (0.55) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3056975 0.95 STAT3 (0.57) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3059816 0.94 STAT3 (0.59) STAT3
SCHEMBL10181513 0.94 STAT3 (0.55) STAT3PIK3CAPRKAA2
SCHEMBL15295440 0.94 STAT3 (0.60) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3065495 0.93 STAT3 (0.59) STAT3PIK3CAPRKAA2
SCHEMBL10181050 0.93 STAT3 (0.59) STAT3PIK3CAPRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US claimed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed