SCHEMBL19982825

SCHEMBL19982825

CC1(C)C(=O)Nc2cc(Nc3nc4c(N5CC(O)C[C@H]5c5ccccc5)nccn4n3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
EIF2AK4 Q9P2K8 1/20 0.45
JAK2 O60674 14/20 0.35
JAK3 P52333 6/20 0.35
LCK P06239 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
MAPK14 Q16539 1/20 0.35
JAK1 P23458 7/20 0.34
PTK2 Q05397 6/20 0.33
MARK3 P27448 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
WEE1 P30291 1/20 0.32
PLK1 P53350 1/20 0.32
CAMK1D Q8IU85 1/20 0.32

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
SCHEMBL15211031 1.00 SYK (0.45) SYKEIF2AK4JAK2JAK3LCK
SCHEMBL15210707 1.00 SYK (0.45) SYKEIF2AK4JAK2JAK3LCK
SCHEMBL15210663 1.00 SYK (0.45) SYKEIF2AK4JAK2JAK3LCK
SCHEMBL15210879 1.00 SYK (0.45) SYKEIF2AK4JAK2JAK3LCK
SCHEMBL15221183 1.00 SYK (0.45) SYKEIF2AK4JAK2JAK3LCK
SCHEMBL19982969 0.92 SYK (0.43) SYKEIF2AK4JAK2JAK3LCK
SCHEMBL15221226 0.92 SYK (0.43) SYKEIF2AK4JAK2JAK3LCK
SCHEMBL16394434 0.92 SYK (0.43) SYKEIF2AK4JAK2JAK3LCK
SCHEMBL15212851 0.90 SYK (0.40) SYKEIF2AK4JAK2JAK3JAK1
SCHEMBL16407205 0.90 SYK (0.43) SYKEIF2AK4JAK2JAK3LCK

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