SCHEMBL19982953

SCHEMBL19982953

CC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCC[C@H]5c5ccccc5)nccn4n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
EIF2AK4 Q9P2K8 1/20 0.44
MAPK14 Q16539 2/20 0.39
JAK2 O60674 8/20 0.37
JAK1 P23458 6/20 0.37
JAK3 P52333 2/20 0.36
NUDT1 P36639 3/20 0.35
CAMK1D Q8IU85 1/20 0.35
LCK P06239 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
DYRK1A Q13627 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.34
SCN9A Q15858 3/20 0.34
PTK2 Q05397 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
SCHEMBL15210630 1.00 SYK (0.44) SYKEIF2AK4MAPK14JAK2JAK1
SCHEMBL19982797 0.92 SYK (0.42) SYKEIF2AK4JAK2
SCHEMBL15210661 0.90 SYK (0.40) SYKEIF2AK4MAPK14JAK2JAK1
SCHEMBL15210775 0.89 SYK (0.46) SYKEIF2AK4MAPK14JAK2JAK1
SCHEMBL19970667 0.88 SYK (0.48) SYKEIF2AK4MAPK14JAK2JAK1
SCHEMBL19970666 0.88 SYK (0.48) SYKEIF2AK4MAPK14JAK2JAK1
SCHEMBL16394841 0.88 SYK (0.46) SYKEIF2AK4MAPK14JAK2JAK1
SCHEMBL16394835 0.88 SYK (0.46) SYKEIF2AK4MAPK14JAK2JAK1
SCHEMBL15221229 0.87 SYK (0.45) SYKEIF2AK4MAPK14JAK2JAK1
SCHEMBL15211031 0.86 SYK (0.45) SYKEIF2AK4MAPK14JAK2JAK1

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