SCHEMBL19982791

SCHEMBL19982791

CC1(C)C(=O)Nc2cc(Nc3nc4c(N5C6CCOCC5CC6)nccn4n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
EIF2AK4 Q9P2K8 1/20 0.44
JAK2 O60674 15/20 0.42
JAK1 P23458 13/20 0.42
JAK3 P52333 3/20 0.37
TYK2 P29597 2/20 0.37
TBK1 Q9UHD2 2/20 0.35
PTK2 Q05397 1/20 0.35
RPS6KA6 Q9UK32 1/20 0.34
LCK P06239 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL15210781 0.95 SYK (0.46) SYKEIF2AK4JAK2JAK1JAK3
SCHEMBL15212617 0.85 SYK (0.49) SYKEIF2AK4JAK2JAK1JAK3
SCHEMBL15221156 0.81 SYK (0.43) SYKEIF2AK4JAK2JAK1JAK3
SCHEMBL15210631 0.81 SYK (0.47) SYKEIF2AK4JAK2JAK1JAK3
SCHEMBL15210740 0.81 SYK (0.51) SYKEIF2AK4JAK2JAK1JAK3
SCHEMBL16394452 0.80 SYK (0.48) SYKEIF2AK4JAK2JAK1JAK3
SCHEMBL15210931 0.80 SYK (0.45) SYKEIF2AK4JAK2JAK1JAK3
SCHEMBL15212901 0.80 SYK (0.51) SYKEIF2AK4JAK2JAK1JAK3
SCHEMBL16394673 0.80 SYK (0.50) SYKEIF2AK4JAK2JAK1JAK3
SCHEMBL15212586 0.80 SYK (0.50) SYKEIF2AK4JAK2JAK1JAK3

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