SCHEMBL4436440

SCHEMBL4436440

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 16/20 0.43
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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 0.79 PDE10A (0.54) PDE10AFLT1KDRCYP1A2CYP3A4
SCHEMBL1579468 0.78 KDM4E (0.42) GAAMAPTSMN1; SMN2TDP1CYP3A4
SCHEMBL4436437 0.77 PDE10A (0.48) PDE10A
SCHEMBL4165792 0.74 PDE10A (0.44) PDE10AFLT1KDRCYP1A2CYP3A4
SCHEMBL4155866 0.74 PDE10A (0.44) PDE10AFLT1KDRCYP1A2CYP3A4
SCHEMBL16285128 0.72 PDE10A (0.50) PDE10AFLT1KDRCYP1A2CYP3A4
SCHEMBL4775174 0.71 FLT1 (0.60) PDE10AFLT1KDR
SCHEMBL6098070 0.71 FLT1 (0.60) PDE10AFLT1KDR
SCHEMBL5245086 0.70 PDE10A (0.56) PDE10ACYP1A2CYP3A4CYP2C19
SCHEMBL16445891 0.69 HMGCR (0.56) MAPTTDP1CYP3A4

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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