SCHEMBL10180900

SCHEMBL10180900

CCOc1ccc(CN2CCN(C(=O)c3cc4cc(Oc5ccc(NC(=O)c6ccc(C(F)(F)F)cc6)cn5)ccc4n3C)CC2)cc1OCC

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 19/20 0.54
PIK3CA P42336 1/20 0.49
PRKAA2 P54646 1/20 0.49

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
Bromide SCHEMBL3067407 0.99 STAT3 (0.53) STAT3PIK3CAPRKAA2
SCHEMBL15295470 0.94 STAT3 (0.57) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3069480 0.93 STAT3 (0.57) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3069444 0.92 STAT3 (0.57) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3051279 0.91 STAT3 (0.57) STAT3PIK3CAPRKAA2
SCHEMBL10180601 0.90 STAT3 (0.62) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3054477 0.90 STAT3 (0.62) STAT3PIK3CAPRKAA2
SCHEMBL10181143 0.90 STAT3 (0.56) STAT3PIK3CAPRKAA2
SCHEMBL15295462 0.90 STAT3 (0.63) STAT3
Bromide SCHEMBL3065314 0.89 STAT3 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed