Sugi Predict

Sugi Predict / Compounds / SCHEMBL5260235

SCHEMBL5260235

SCHEMBL5260235

COc1cc(C2=C(c3cn(CCN4CCN(C)CC4)c4ccccc34)C(=O)NC2=O)c2occc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 1.00
▸ KDR P35968 5/20 0.57
▸ FLT3 P36888 3/20 0.54
▸ PRKCB P05771 7/20 0.50
▸ PRKCA P17252 6/20 0.50
▸ QPCT Q16769 3/20 0.47
▸ PRKCG P05129 4/20 0.46
▸ PRKCE Q02156 3/20 0.46
▸ PRKCD Q05655 3/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ PRKACG P22612 1/20 0.46
▸ PRKACB P22694 1/20 0.46
▸ PRKCH P24723 1/20 0.46

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
SCHEMBL5255284 0.87 GSK3B (0.77) GSK3BKDRFLT3PRKCAQPCT
SCHEMBL5257432 0.87 GSK3B (0.77) GSK3BKDRFLT3PRKCAQPCT
SCHEMBL5257465 0.86 GSK3B (0.75) GSK3BKDRFLT3PRKCAQPCT
SCHEMBL5258462 0.85 GSK3B (0.75) GSK3BKDRFLT3PRKCBPRKCA
SCHEMBL4992178 0.85 GSK3B (0.75) GSK3BKDRFLT3PRKCBPRKCA
SCHEMBL4991182 0.85 GSK3B (0.75) GSK3BKDRFLT3QPCTPRKACA
SCHEMBL4994614 0.84 GSK3B (0.72) GSK3BKDRFLT3PRKCBPRKCA
SCHEMBL4984745 0.83 GSK3B (0.70) GSK3BKDRPRKCA
SCHEMBL5256402 0.79 GSK3B (0.65) GSK3BKDRPRKCBPRKCAPRKCG
SCHEMBL4982410 0.79 GSK3B (0.65) GSK3BKDRFLT3PRKCBPRKCA

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-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 — — EP disclosed