SCHEMBL2729181

SCHEMBL2729181

COc1ccc(Nc2nc(N[C@H](CC(C)C)C(N)=O)[nH]c(=O)c2C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.47
PDE9A O76083 4/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL2729183 1.00 SYK (0.47) SYKPDE9AGAAGFER
SCHEMBL2718602 0.90 SYK (0.48) SYKPDE9AGAAGFER
SCHEMBL2718597 0.90 SYK (0.48) SYKPDE9AGAAGFER
SCHEMBL2729448 0.90 SYK (0.44) SYK
SCHEMBL2729441 0.90 SYK (0.44) SYK
SCHEMBL2716671 0.89 SYK (0.51) SYKPDE9A
SCHEMBL2731588 0.89 SYK (0.41) SYK
SCHEMBL2731593 0.89 SYK (0.41) SYK
SCHEMBL2716675 0.89 SYK (0.51) SYKPDE9A
SCHEMBL2729610 0.89 SYK (0.44) SYK

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