Sugi Predict

Sugi Predict / Compounds / SCHEMBL10180903

SCHEMBL10180903

SCHEMBL10180903

CC(C)Oc1ccc(CN2CCN(C(=O)c3cc4cc(Oc5ccc(N(C)C(=O)c6ccc(C(F)(F)F)cc6)cn5)ccc4n3C)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.52
▸ PRKAA2 P54646 2/20 0.52
▸ STAT3 P40763 18/20 0.52

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 SCHEMBL3052153 0.96 PIK3CA (0.49) PIK3CAPRKAA2STAT3
Fumaric Acid SCHEMBL3052156 0.96 PIK3CA (0.49) PIK3CAPRKAA2STAT3
SCHEMBL10180756 0.95 STAT3 (0.54) PIK3CAPRKAA2STAT3
Bromide SCHEMBL3056975 0.93 STAT3 (0.57) PIK3CAPRKAA2STAT3
Maleic Acid SCHEMBL3067177 0.92 STAT3 (0.51) PIK3CAPRKAA2STAT3
Fumaric Acid SCHEMBL3067184 0.92 STAT3 (0.51) PIK3CAPRKAA2STAT3
SCHEMBL10180512 0.92 STAT3 (0.54) PIK3CAPRKAA2STAT3
Maleic Acid SCHEMBL3064673 0.92 STAT3 (0.54) PIK3CAPRKAA2STAT3
Fumaric Acid SCHEMBL3064675 0.92 STAT3 (0.54) PIK3CAPRKAA2STAT3
SCHEMBL10181050 0.91 STAT3 (0.59) PIK3CAPRKAA2STAT3

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 claimed