SCHEMBL19982782

SCHEMBL19982782

CC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCCC(=O)NC(=O)C5)nccn4n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.46
EIF2AK4 Q9P2K8 1/20 0.46
LCK P06239 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
MAPK14 Q16539 1/20 0.35
JAK2 O60674 12/20 0.34
JAK1 P23458 5/20 0.34
JAK3 P52333 6/20 0.34
CAMK1D Q8IU85 1/20 0.34
MARK3 P27448 2/20 0.33
PTK2 Q05397 4/20 0.32
BTK Q06187 1/20 0.32
NUAK1 O60285 1/20 0.32
TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL15210740 0.90 SYK (0.51) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15212586 0.89 SYK (0.50) SYKEIF2AK4LCKBRAFKDR
SCHEMBL16394673 0.89 SYK (0.50) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210597 0.88 SYK (0.47) SYKEIF2AK4LCKBRAFKDR
SCHEMBL16407143 0.86 SYK (0.48) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210734 0.85 SYK (0.47) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210624 0.85 SYK (0.47) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210712 0.84 SYK (0.45) SYKEIF2AK4LCKBRAFKDR
SCHEMBL16407154 0.83 SYK (0.44) SYKEIF2AK4LCKBRAFKDR
SCHEMBL15210547 0.83 CAMK1D (0.49) SYKEIF2AK4LCKBRAFKDR

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