SCHEMBL25338708

SCHEMBL25338708

N#Cc1ccc2ncc(-c3nn(CC(F)(F)F)c4cc(C(=O)N5CCCOCC5)ncc34)n2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.46
MKNK2 Q9HBH9 8/20 0.46
EIF4E P06730 1/20 0.46
ADORA2A P29274 8/20 0.42
JAK2 O60674 3/20 0.38
JAK3 P52333 3/20 0.38
JAK1 P23458 2/20 0.38
CYP3A4 P08684 1/20 0.36
METAP2 P50579 1/20 0.35

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
SCHEMBL30445752 1.00 MKNK1 (0.46) MKNK1MKNK2EIF4EADORA2AJAK2
SCHEMBL24086888 0.93 ADORA2A (0.48) MKNK1MKNK2EIF4EADORA2AJAK2
SCHEMBL24086868 0.90 ADORA2A (0.52) MKNK1MKNK2EIF4EADORA2AMETAP2
SCHEMBL24087042 0.88 ADORA2A (0.45) MKNK1MKNK2EIF4EADORA2A
SCHEMBL30445664 0.86 ADORA2A (0.42) MKNK1MKNK2EIF4EADORA2AMETAP2
SCHEMBL25334728 0.85 ADORA2A (0.42) MKNK1MKNK2EIF4EADORA2AJAK2
SCHEMBL25338820 0.81 ADORA2A (0.50) MKNK1MKNK2ADORA2A
SCHEMBL24087072 0.81 ADORA2A (0.60) MKNK1MKNK2ADORA2A
SCHEMBL24086965 0.81 ADORA2A (0.48) MKNK1MKNK2EIF4EADORA2ACYP3A4
SCHEMBL24087048 0.81 ADORA2A (0.48) MKNK1MKNK2ADORA2A

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-3870582-B1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-07-19 EP claimed