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Sugi Predict / Compounds / SCHEMBL3467534

SCHEMBL3467534

SCHEMBL3467534

Cc1ccoc1C(=O)Nc1cccc(C#Cc2cncc(C(=O)N=S(C)(=O)c3ccc(CCC(=O)O)cc3)c2)c1.Cc1ccoc1C(=O)Nc1cccc(C#Cc2cncc(C(=O)N=S(C)(=O)c3ccc(CCC(=O)OCCO)cc3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 20/20 0.65
▸ PDGFRB P09619 10/20 0.65

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
SCHEMBL837437 0.97 KDR (0.68) KDRPDGFRB
SCHEMBL833111 0.93 KDR (0.74) KDRPDGFRB
SCHEMBL835877 0.91 KDR (0.72) KDRPDGFRB
SCHEMBL869819 0.88 KDR (0.53) KDRPDGFRB
SCHEMBL834656 0.86 KDR (0.79) KDRPDGFRB
SCHEMBL834831 0.84 KDR (0.78) KDRPDGFRB
SCHEMBL12750860 0.84 KDR (0.85) KDRPDGFRB
SCHEMBL836862 0.83 KDR (0.74) KDRPDGFRB
SCHEMBL836567 0.83 KDR (0.66) KDRPDGFRB
SCHEMBL834722 0.82 KDR (0.63) KDRPDGFRB

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-2010078393-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-08 — — WO disclosed