SCHEMBL10272082

SCHEMBL10272082

CC[C@@H](Nc1nc(Nc2ccc3c(ccc[n+]3[O-])c2)c(C#N)c(OC)n1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.43
AURKA O14965 2/20 0.36
PIP4K2A P48426 8/20 0.36
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10272087 0.89 SYK (0.47) SYKAURKA
SCHEMBL10272080 0.83 SYK (0.64) SYKAURKAPIP4K2A
SCHEMBL2718505 0.74 SYK (0.33) SYK
SCHEMBL2717347 0.73 SYK (0.49) SYK
SCHEMBL2723066 0.73 SYK (0.51) SYKPIP4K2AKDM4E
SCHEMBL2723063 0.73 SYK (0.51) SYKPIP4K2AKDM4E
SCHEMBL16743200 0.71 SYK (0.47) SYK
SCHEMBL2717000 0.71 SYK (0.53) SYK
SCHEMBL10272079 0.71 SYK (0.70) SYKAURKA
SCHEMBL10272206 0.70 SYK (0.48) SYKAURKA

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