SCHEMBL2729291

SCHEMBL2729291

CC(C)C[C@@H](Nc1nc(Nc2cccc(-n3ccnc3)c2)c(C(N)=O)c(=O)[nH]1)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 19/20 0.66
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39

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
SCHEMBL2729298 1.00 SYK (0.66) SYKABL1PDGFRBBCRSRC
SCHEMBL2731132 0.92 SYK (0.55) SYKABL1PDGFRBBCRSRC
SCHEMBL2731135 0.92 SYK (0.55) SYKABL1PDGFRBBCRSRC
SCHEMBL2728948 0.91 SYK (0.53) SYK
SCHEMBL2728953 0.91 SYK (0.53) SYK
SCHEMBL2716063 0.87 SYK (0.64) SYK
SCHEMBL2716067 0.87 SYK (0.64) SYK
SCHEMBL10272204 0.86 SYK (0.66) SYK
SCHEMBL10272190 0.83 SYK (0.63) SYK
SCHEMBL2728643 0.83 SYK (0.48) 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