SCHEMBL10272080

SCHEMBL10272080

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.64
AURKA O14965 2/20 0.53
PIP4K2A P48426 5/20 0.40
TNIK Q9UKE5 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL10272079 0.88 SYK (0.70) SYKAURKATNIKNPC1RAB9A
SCHEMBL10272206 0.87 SYK (0.48) SYKAURKATNIKNPC1RAB9A
SCHEMBL2716777 0.85 PIP4K2A (0.48) SYKAURKAPIP4K2A
SCHEMBL2716765 0.85 PIP4K2A (0.48) SYKAURKAPIP4K2A
SCHEMBL10272082 0.83 SYK (0.43) SYKAURKAPIP4K2A
SCHEMBL2715096 0.78 SYK (0.61) SYKAURKAPIP4K2ANPC1RAB9A
SCHEMBL9107210 0.78 SYK (0.61) SYKAURKAPIP4K2ANPC1RAB9A
SCHEMBL1354375 0.78 SYK (1.00) SYK
SCHEMBL16743177 0.78 SYK (0.74) SYKAURKATNIKBTK
SCHEMBL1354369 0.78 SYK (1.00) 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 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