SCHEMBL19982913

SCHEMBL19982913

CC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCC(N6CCCNC6=O)CC5)nccn4n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.44
▸ EIF2AK4 Q9P2K8 1/20 0.44
▸ JAK2 O60674 13/20 0.38
▸ JAK1 P23458 8/20 0.38
▸ MARK3 P27448 2/20 0.34
▸ MARK4 Q96L34 1/20 0.34
▸ CAMK1D Q8IU85 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ JAK3 P52333 4/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCND2 P30279 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.32
▸ PTK2 Q05397 3/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ WEE1 P30291 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
SCHEMBL15210931 0.95 SYK (0.45) SYKEIF2AK4JAK2JAK1MARK3
SCHEMBL15210740 0.87 SYK (0.51) SYKEIF2AK4JAK2JAK1MARK3
SCHEMBL16394673 0.86 SYK (0.50) SYKEIF2AK4JAK2JAK1MARK3
SCHEMBL15212586 0.86 SYK (0.50) SYKEIF2AK4JAK2JAK1MARK3
SCHEMBL19970666 0.86 SYK (0.48) SYKEIF2AK4JAK2JAK1CAMK1D
SCHEMBL19970667 0.86 SYK (0.48) SYKEIF2AK4JAK2JAK1CAMK1D
SCHEMBL15210734 0.86 SYK (0.47) SYKEIF2AK4JAK2JAK1MARK3
SCHEMBL15210775 0.85 SYK (0.46) SYKEIF2AK4JAK2JAK1CAMK1D
SCHEMBL16394366 0.85 SYK (0.48) SYKEIF2AK4JAK2JAK1CAMK1D
SCHEMBL19983172 0.84 SYK (0.46) SYKEIF2AK4JAK2JAK1CAMK1D

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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