SCHEMBL19982806

SCHEMBL19982806

CCNc1nccn2nc(Nc3ccc4c(c3)NC(=O)C4(C)C)nc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.49
EIF2AK4 Q9P2K8 1/20 0.49
LCK P06239 1/20 0.42
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 1/20 0.42
JAK2 O60674 15/20 0.38
JAK1 P23458 5/20 0.38
JAK3 P52333 6/20 0.35
PTK2 Q05397 8/20 0.35
TBK1 Q9UHD2 1/20 0.34
MARK3 P27448 1/20 0.33

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
SCHEMBL15212908 0.92 SYK (0.48) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210723 0.90 SYK (0.47) SYKEIF2AK4LCKBRAFKDR
SCHEMBL19982819 0.89 SYK (0.51) SYKEIF2AK4LCKBRAFKDR
SCHEMBL16394615 0.88 SYK (0.46) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210739 0.87 SYK (0.46) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210786 0.86 SYK (0.46) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210759 0.86 SYK (0.48) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210751 0.85 SYK (0.45) SYKEIF2AK4LCKBRAFKDR
SCHEMBL19982984 0.85 SYK (0.47) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210422 0.84 SYK (0.51) 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