SCHEMBL19983184

SCHEMBL19983184

CC(C)(C)N/C=C(\C=N)c1nccn2nc(Nc3ccc4c(c3)NC(=O)C4(C)C)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.45
EIF2AK4 Q9P2K8 1/20 0.45
MAPK14 Q16539 2/20 0.34
LCK P06239 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
JAK2 O60674 6/20 0.32
JAK3 P52333 3/20 0.32
PTK2 Q05397 2/20 0.31
JAK1 P23458 2/20 0.30
WEE1 P30291 1/20 0.30
PLK1 P53350 1/20 0.30
MARK3 P27448 1/20 0.30
SRC P12931 1/20 0.30
GSK3A P49840 1/20 0.30

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
SCHEMBL19982842 0.84 SYK (0.43) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL19970668 0.81 SYK (0.51) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15210720 0.77 SYK (0.51) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15210422 0.77 SYK (0.51) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL19982819 0.77 SYK (0.51) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15210932 0.76 SYK (0.50) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15210740 0.74 SYK (0.51) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL19982806 0.74 SYK (0.49) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15212901 0.74 SYK (0.51) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15212908 0.74 SYK (0.48) SYKEIF2AK4MAPK14LCKBRAF

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
EP-2817310-B1 8-SUBSTITUTED 2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed