SCHEMBL4436437

SCHEMBL4436437

COc1cc(N)c(C(C)=O)cc1OC.COc1cc2nncc(O)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 15/20 0.48
▸ HTT P42858 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ SRC P12931 2/20 0.38
▸ TGFBR1 P36897 2/20 0.38

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
SCHEMBL2206398 0.82 PDE10A (0.54) PDE10A
SCHEMBL705665 0.78 KDM4E (0.69) HTTKDM4E
SCHEMBL30870738 0.78 KDM4E (0.69) HTTKDM4E
SCHEMBL4436440 0.77 PDE10A (0.43) PDE10A
SCHEMBL5245086 0.73 PDE10A (0.56) PDE10A
SCHEMBL12793494 0.73 HTT (0.56) HTTKDM4E
SCHEMBL16285128 0.72 PDE10A (0.50) PDE10A
SCHEMBL4165792 0.72 PDE10A (0.44) PDE10A
SCHEMBL4155866 0.72 PDE10A (0.44) PDE10A
SCHEMBL6098070 0.71 FLT1 (0.60) PDE10A

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
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 — — EP disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 — — WO disclosed
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