SCHEMBL16626009

SCHEMBL16626009

Cc1cc(-c2ccc3ncc(-c4ccnc(N)c4)n3n2)ccc1C(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.55
MKNK2 Q9HBH9 8/20 0.55
EIF4E P06730 2/20 0.49
FYN P06241 5/20 0.46
LRRK2 Q5S007 1/20 0.46
PIK3CA P42336 3/20 0.44
MTOR P42345 2/20 0.44
CYP3A4 P08684 1/20 0.43
ATR Q13535 1/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
PIK3C3 Q8NEB9 1/20 0.42

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
SCHEMBL18012900 0.86 MKNK1 (0.58) MKNK1MKNK2LRRK2
SCHEMBL17998743 0.85 MTOR (0.48) MKNK1MKNK2EIF4ELRRK2PIK3CA
Formic Acid SCHEMBL16620929 0.82 MTOR (0.46) MKNK1MKNK2EIF4ELRRK2PIK3CA
Formic Acid SCHEMBL29756329 0.82 MTOR (0.46) MKNK1MKNK2EIF4ELRRK2PIK3CA
SCHEMBL16620529 0.82 MKNK1 (0.52) MKNK1MKNK2EIF4ELRRK2PIK3CA
SCHEMBL15288465 0.79 MKNK1 (0.75) MKNK1MKNK2EIF4EFYNCYP3A4
SCHEMBL21644093 0.76 FYN (0.49) MKNK1MKNK2FYN
SCHEMBL16625807 0.76 MKNK1 (0.46) MKNK1MKNK2EIF4ELRRK2PIK3CA
SCHEMBL18012895 0.75 MKNK1 (0.55) MKNK1MKNK2FYNLRRK2MTOR
SCHEMBL18012892 0.75 MKNK1 (0.55) MKNK1MKNK2FYNLRRK2MTOR

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
WO-2015050505-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-09 WO disclosed