SCHEMBL19970668

SCHEMBL19970668

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.51
EIF2AK4 Q9P2K8 1/20 0.51
MAPK14 Q16539 3/20 0.40
LCK P06239 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
CAMK1D Q8IU85 1/20 0.37
JAK2 O60674 13/20 0.35
JAK3 P52333 6/20 0.35
PTK2 Q05397 5/20 0.35
JAK1 P23458 5/20 0.34
TBK1 Q9UHD2 1/20 0.34
MARK3 P27448 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 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
SCHEMBL15210720 0.86 SYK (0.51) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15210422 0.84 SYK (0.51) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL19982819 0.83 SYK (0.51) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15210932 0.83 SYK (0.50) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15210555 0.82 SYK (0.47) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL19983184 0.81 SYK (0.45) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15210867 0.81 SYK (0.47) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15210656 0.81 SYK (0.43) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL19982806 0.81 SYK (0.49) SYKEIF2AK4MAPK14LCKBRAF
SCHEMBL15210740 0.81 SYK (0.51) SYKEIF2AK4MAPK14LCKBRAF

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