SCHEMBL19983153

SCHEMBL19983153

CCCC(CN(CC)c1nccn2nc(Nc3ccc4c(c3)NC(=O)C4(C)C)nc12)N(C)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
EIF2AK4 Q9P2K8 1/20 0.43
LCK P06239 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
JAK2 O60674 8/20 0.32
PTK2 Q05397 6/20 0.32
JAK3 P52333 5/20 0.32
TBK1 Q9UHD2 1/20 0.31
JAK1 P23458 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
SCHEMBL15210464 0.86 SYK (0.48) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210932 0.80 SYK (0.50) SYKEIF2AK4LCKBRAFKDR
SCHEMBL16394623 0.78 SYK (0.47) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15212620 0.74 SYK (0.45) SYKEIF2AK4JAK2PTK2JAK3
SCHEMBL15210790 0.73 SYK (0.46) SYKEIF2AK4LCKBRAFKDR
SCHEMBL19982806 0.73 SYK (0.49) SYKEIF2AK4LCKBRAFKDR
SCHEMBL19970668 0.73 SYK (0.51) SYKEIF2AK4LCKBRAFKDR
SCHEMBL16394386 0.73 SYK (0.43) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210656 0.73 SYK (0.43) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210990 0.73 SYK (0.46) SYKEIF2AK4LCKBRAFKDR

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