SCHEMBL10271909

SCHEMBL10271909

CC(C)[C@@H](Nc1nc(Nc2ccc(-n3cccn3)cc2)c(C(N)=O)c(=O)[nH]1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.49
LRRK2 Q5S007 1/20 0.40
CHEK2 O96017 1/20 0.38
PDE2A O00408 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
TNIK Q9UKE5 1/20 0.35
MAPT P10636 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL10271725 0.90 SYK (0.51) SYKLRRK2
SCHEMBL2718144 0.88 SYK (0.38) SYK
SCHEMBL10271836 0.87 SYK (0.64) SYKLRRK2CHEK2
SCHEMBL10272091 0.86 SYK (0.53) SYKLRRK2CHEK2PDE2ATP53
SCHEMBL2730389 0.80 SYK (0.53) SYK
SCHEMBL2730393 0.80 SYK (0.53) SYK
SCHEMBL10272204 0.78 SYK (0.66) SYKLRRK2
SCHEMBL2716075 0.77 SYK (0.46) SYKMAPT
SCHEMBL2716073 0.77 SYK (0.46) SYKMAPT
SCHEMBL10272207 0.77 SYK (0.55) SYKLRRK2

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