SCHEMBL2729441

SCHEMBL2729441

COCCOc1ccc(Nc2nc(N[C@H](CC(C)C)C(N)=O)[nH]c(=O)c2C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.44
JAK2 O60674 2/20 0.41
BTK Q06187 4/20 0.41
LCK P06239 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL2729448 1.00 SYK (0.44) SYKJAK2BTKLCKJAK3
SCHEMBL10271844 0.91 SYK (0.45) SYKJAK2BTKLCKJAK3
SCHEMBL2729181 0.90 SYK (0.47) SYK
SCHEMBL2729183 0.90 SYK (0.47) SYK
SCHEMBL2717554 0.90 SYK (0.44) SYK
SCHEMBL2731573 0.90 SYK (0.44) SYK
SCHEMBL2731588 0.85 SYK (0.41) SYK
SCHEMBL2731593 0.85 SYK (0.41) SYK
SCHEMBL10272220 0.83 SYK (0.43) SYK
SCHEMBL2729610 0.83 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