SCHEMBL19970667

SCHEMBL19970667

CC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCCC5O)nccn4n3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.48
▸ EIF2AK4 Q9P2K8 1/20 0.48
▸ CAMK1D Q8IU85 1/20 0.38
▸ JAK2 O60674 15/20 0.37
▸ JAK1 P23458 12/20 0.37
▸ LCK P06239 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.35
▸ JAK3 P52333 2/20 0.34
▸ ULK1 O75385 1/20 0.33
▸ PTK2 Q05397 1/20 0.33

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
SCHEMBL19970666 1.00 SYK (0.48) SYKEIF2AK4CAMK1DJAK2JAK1
SCHEMBL15210775 0.91 SYK (0.46) SYKEIF2AK4CAMK1DJAK2JAK1
SCHEMBL16394610 0.90 SYK (0.46) SYKEIF2AK4CAMK1DJAK2JAK1
SCHEMBL15221155 0.90 SYK (0.46) SYKEIF2AK4CAMK1DJAK2JAK1
SCHEMBL16394841 0.90 SYK (0.46) SYKEIF2AK4CAMK1DJAK2JAK1
SCHEMBL16394835 0.90 SYK (0.46) SYKEIF2AK4CAMK1DJAK2JAK1
SCHEMBL19970672 0.89 SYK (0.46) SYKEIF2AK4CAMK1DJAK2JAK1
SCHEMBL15210788 0.89 SYK (0.46) SYKEIF2AK4CAMK1DJAK2JAK1
SCHEMBL15221229 0.89 SYK (0.45) SYKEIF2AK4CAMK1DJAK2JAK1
SCHEMBL19982953 0.88 SYK (0.44) SYKEIF2AK4CAMK1DJAK2JAK1

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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