SCHEMBL7203669

SCHEMBL7203669

CNC(=O)OC1CCNCC1C(=O)Nc1ncc(-c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.50
USP30 Q70CQ3 7/20 0.46
KDR P35968 1/20 0.46
UCHL1 P09936 1/20 0.44
GSTO1 P78417 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
SCD O00767 1/20 0.43
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
ACP1 P24666 1/20 0.41
CYP3A4 P08684 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.40
FFAR2 O15552 1/20 0.39
BCHE P06276 1/20 0.38

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
SCHEMBL19296044 0.78 MKNK1 (0.64) MKNK1USP30KDRUCHL1GSTO1
Hydrochloric Acid SCHEMBL17632596 0.77 MKNK1 (0.63) MKNK1USP30KDRUCHL1GSTO1
Hydrochloric Acid SCHEMBL17632594 0.77 MKNK1 (0.63) MKNK1USP30KDRUCHL1GSTO1
Trifluoroacetic Acid SCHEMBL7202867 0.74 MKNK1 (0.46) MKNK1USP30KDRUCHL1GSTO1
SCHEMBL7203833 0.72 MKNK1 (0.48) MKNK1USP30KDRUCHL1GSTO1
SCHEMBL30114558 0.69 DYRK1B (0.61) MKNK1USP30KDRUCHL1WNT1
SCHEMBL22522706 0.69 MKNK1 (0.67) MKNK1USP30KDRUCHL1GSTO1
SCHEMBL22523024 0.69 MKNK1 (0.67) MKNK1USP30KDRUCHL1GSTO1
SCHEMBL2560567 0.69 MKNK1 (0.57) MKNK1USP30KDRUCHL1GSTO1
SCHEMBL6844129 0.68 KDR (0.52) MKNK1USP30KDRUCHL1GSTO1

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-2003015778-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-27 WO disclosed