SCHEMBL19982808

SCHEMBL19982808

CC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCC6(CC5)CC(O)NC6=O)nccn4n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.46
▸ EIF2AK4 Q9P2K8 1/20 0.46
▸ JAK1 P23458 16/20 0.35
▸ JAK2 O60674 14/20 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
▸ TYK2 P29597 11/20 0.35
▸ JAK3 P52333 6/20 0.34
▸ TBK1 Q9UHD2 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
SCHEMBL15210823 0.86 JAK1 (0.47) SYKEIF2AK4JAK1JAK2TYK2
SCHEMBL16407142 0.86 SYK (0.46) SYKEIF2AK4JAK1JAK2LCK
SCHEMBL15210740 0.85 SYK (0.51) SYKEIF2AK4JAK1JAK2LCK
SCHEMBL15210848 0.85 SYK (0.49) SYKEIF2AK4JAK1JAK2LCK
SCHEMBL15212901 0.84 SYK (0.51) SYKEIF2AK4JAK1JAK2LCK
SCHEMBL16394673 0.84 SYK (0.50) SYKEIF2AK4JAK1JAK2LCK
SCHEMBL15212586 0.84 SYK (0.50) SYKEIF2AK4JAK1JAK2LCK
SCHEMBL15210539 0.84 SYK (0.49) SYKEIF2AK4JAK1JAK2LCK
SCHEMBL15210741 0.83 SYK (0.45) SYKEIF2AK4JAK1JAK2LCK
SCHEMBL15210604 0.83 SYK (0.48) SYKEIF2AK4JAK1JAK2LCK

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
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