SCHEMBL2716671

SCHEMBL2716671

COc1cccc(Nc2nc(N[C@H](CC(C)C)C(N)=O)[nH]c(=O)c2C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.51
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE9A O76083 1/20 0.43
LRRK2 Q5S007 1/20 0.42
MLKL Q8NB16 1/20 0.42

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
SCHEMBL2716675 1.00 SYK (0.51) SYKMEN1MAPTKMT2APDE9A
SCHEMBL2718425 0.91 SYK (0.44) SYK
SCHEMBL2718419 0.91 SYK (0.44) SYK
SCHEMBL2715960 0.91 SYK (0.52) SYKMEN1MAPTKMT2APDE9A
SCHEMBL2731573 0.91 SYK (0.44) SYK
SCHEMBL2717554 0.91 SYK (0.44) SYK
SCHEMBL2715928 0.90 SYK (0.42) SYK
SCHEMBL2715926 0.90 SYK (0.42) SYK
SCHEMBL2729183 0.89 SYK (0.47) SYKPDE9A
SCHEMBL2729181 0.89 SYK (0.47) SYKPDE9A

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
WO-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
WO-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed