SCHEMBL10271844

SCHEMBL10271844

CC[C@@H](Nc1nc(Nc2ccc(OCCOC)cc2)c(C(N)=O)c(=O)[nH]1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.45
BTK Q06187 8/20 0.42
JAK3 P52333 2/20 0.42
LCK P06239 1/20 0.42
JAK2 O60674 4/20 0.40
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
EGFR P00533 3/20 0.36
MAPK1 P28482 1/20 0.36
LYN P07948 1/20 0.36
TEC P42680 1/20 0.36
TXK P42681 1/20 0.36
BMX P51813 1/20 0.36
CD69 Q07108 1/20 0.36
ITK Q08881 1/20 0.36

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 0.91 SYK (0.44) SYKBTKJAK3LCKJAK2
SCHEMBL2729441 0.91 SYK (0.44) SYKBTKJAK3LCKJAK2
SCHEMBL2718602 0.89 SYK (0.48) SYKGAAGFER
SCHEMBL2718597 0.89 SYK (0.48) SYKGAAGFER
SCHEMBL10272215 0.89 SYK (0.45) SYKEGFR
SCHEMBL10271846 0.84 SYK (0.40) SYKMAPK1
SCHEMBL2731573 0.81 SYK (0.44) SYK
SCHEMBL2717554 0.81 SYK (0.44) SYK
SCHEMBL2715960 0.80 SYK (0.52) SYKMAPK1
SCHEMBL2729183 0.80 SYK (0.47) SYKGAAGFER

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 1 patent. 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