SCHEMBL19982797

SCHEMBL19982797

CC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCCC5c5cccc(F)c5)nccn4n3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
EIF2AK4 Q9P2K8 1/20 0.42
NTRK1 P04629 19/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
JAK2 O60674 5/20 0.39

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
SCHEMBL19982953 0.92 SYK (0.44) SYKEIF2AK4JAK2
SCHEMBL15210630 0.92 SYK (0.44) SYKEIF2AK4JAK2
SCHEMBL19982969 0.87 SYK (0.43) SYKEIF2AK4NTRK1NTRK3NTRK2
SCHEMBL16394434 0.87 SYK (0.43) SYKEIF2AK4NTRK1NTRK3NTRK2
SCHEMBL15221226 0.87 SYK (0.43) SYKEIF2AK4NTRK1NTRK3NTRK2
SCHEMBL15210775 0.85 SYK (0.46) SYKEIF2AK4JAK2
SCHEMBL19970667 0.85 SYK (0.48) SYKEIF2AK4JAK2
SCHEMBL19970666 0.85 SYK (0.48) SYKEIF2AK4JAK2
SCHEMBL15221229 0.83 SYK (0.45) SYKEIF2AK4JAK2
SCHEMBL16394841 0.83 SYK (0.46) SYKEIF2AK4JAK2

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