SCHEMBL10272079

SCHEMBL10272079

CC[C@@H](Nc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)c(OC)n1)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.70
AURKA O14965 2/20 0.54
TNIK Q9UKE5 1/20 0.44
BTK Q06187 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40

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
SCHEMBL10272080 0.88 SYK (0.64) SYKAURKATNIKBTKNPC1
SCHEMBL2719190 0.86 SYK (0.52) SYKAURKATNIKBTKNPC1
SCHEMBL10271838 0.86 SYK (0.52) SYKAURKATNIKBTKNPC1
SCHEMBL2717505 0.84 SYK (0.50) SYKAURKATNIKBTKNPC1
SCHEMBL2716327 0.83 SYK (0.49) SYKAURKATNIKBTKNPC1
SCHEMBL1354375 0.83 SYK (1.00) SYK
SCHEMBL1354369 0.83 SYK (1.00) SYK
SCHEMBL16743177 0.83 SYK (0.74) SYKAURKATNIKBTK
SCHEMBL10272087 0.82 SYK (0.47) SYKAURKA
SCHEMBL10272161 0.81 SYK (0.64) SYKAURKATNIKBTKNPC1

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