SCHEMBL19982828

SCHEMBL19982828

Cn1cc(-c2nccn3nc(Nc4ccc5c(c4)N[SH](=O)(N=O)C5)nc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.60
EIF2AK4 Q9P2K8 1/20 0.60
CDK2 P24941 8/20 0.35
CCNE2 O96020 7/20 0.35
CCNE1 P24864 7/20 0.35
CCNB2 O95067 6/20 0.35
CDK1 P06493 6/20 0.35
CCNB1 P14635 6/20 0.35
CDK5 Q00535 6/20 0.35
CDK5R1 Q15078 6/20 0.35
CCNB3 Q8WWL7 6/20 0.35
CCNT1 O60563 6/20 0.35
CDK9 P50750 6/20 0.35
JAK2 O60674 5/20 0.35
JAK3 P52333 5/20 0.35
PTK2 Q05397 5/20 0.35
TTK P33981 2/20 0.35
CCNA2 P20248 1/20 0.35
AXL P30530 4/20 0.34
TYRO3 Q06418 3/20 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
SCHEMBL16394288 0.81 SYK (0.64) SYKEIF2AK4CDK2CCNE2CCNE1
SCHEMBL15221133 0.81 SYK (0.69) SYKEIF2AK4CDK2JAK2TTK
SCHEMBL15210757 0.78 SYK (0.78) SYKEIF2AK4CDK2CCNE2CCNE1
SCHEMBL16407132 0.78 SYK (0.78) SYKEIF2AK4CDK2CCNE2CCNE1
SCHEMBL16407129 0.78 SYK (0.69) SYKEIF2AK4CDK2CCNE2CCNE1
SCHEMBL20041 0.77 SYK (0.64) SYKEIF2AK4JAK2PTK2AXL
SCHEMBL15212844 0.77 SYK (0.60) SYKEIF2AK4CDK2CCNE2CCNE1
SCHEMBL15221230 0.77 SYK (0.71) SYKEIF2AK4CDK2CCNE2CCNE1
SCHEMBL15212605 0.77 SYK (0.71) SYKEIF2AK4CDK2CCNE2CCNE1
SCHEMBL15210671 0.77 SYK (0.81) SYKEIF2AK4CDK2CCNE2CCNE1

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