SCHEMBL19982844

SCHEMBL19982844

CC1(C)C(=O)Nc2cc(Nc3nc4c(N5C[C@@H](CO)CC5c5ccccc5)nccn4n3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.43
▸ EIF2AK4 Q9P2K8 1/20 0.43
▸ JAK2 O60674 14/20 0.35
▸ JAK3 P52333 10/20 0.35
▸ PTK2 Q05397 12/20 0.35
▸ LCK P06239 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ JAK1 P23458 3/20 0.33
▸ MARK3 P27448 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 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
SCHEMBL19982957 1.00 SYK (0.43) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL19983193 1.00 SYK (0.43) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15221253 1.00 SYK (0.43) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15221174 1.00 SYK (0.43) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15221234 1.00 SYK (0.43) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL16407205 1.00 SYK (0.43) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15221183 0.90 SYK (0.45) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15210663 0.90 SYK (0.45) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15211031 0.90 SYK (0.45) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL19982825 0.90 SYK (0.45) SYKEIF2AK4JAK2JAK3PTK2

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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