SCHEMBL5353583

SCHEMBL5353583

NC1CCN(NC(=O)Nc2ncc(-c3ccccc3)s2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.55
UCHL1 P09936 1/20 0.53
USP30 Q70CQ3 7/20 0.52
KDR P35968 2/20 0.51
CNR1 P21554 1/20 0.50
GSTO1 P78417 1/20 0.48
CNR2 P34972 1/20 0.48
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK5 Q00535 1/20 0.47
SCD O00767 1/20 0.47
AURKA O14965 1/20 0.47
FLT3 P36888 1/20 0.47
ACP1 P24666 1/20 0.46
CYP3A4 P08684 1/20 0.45
OTUD7B Q6GQQ9 2/20 0.44

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
SCHEMBL5353588 1.00 MKNK1 (0.55) MKNK1UCHL1USP30KDRCNR1
SCHEMBL5354171 1.00 MKNK1 (0.55) MKNK1UCHL1USP30KDRCNR1
SCHEMBL5352132 0.94 USP30 (0.55) MKNK1UCHL1USP30KDRCNR1
SCHEMBL5352138 0.94 USP30 (0.55) MKNK1UCHL1USP30KDRCNR1
SCHEMBL5352128 0.94 USP30 (0.55) MKNK1UCHL1USP30KDRCNR1
SCHEMBL5367612 0.93 MKNK1 (0.57) MKNK1UCHL1USP30KDRCNR1
SCHEMBL5354063 0.84 MKNK1 (0.64) MKNK1UCHL1USP30KDRCNR1
SCHEMBL14408008 0.82 CNR2 (0.59) MKNK1UCHL1USP30KDRCNR1
SCHEMBL14408007 0.82 CNR2 (0.59) MKNK1UCHL1USP30KDRCNR1
SCHEMBL5359220 0.82 MKNK1 (0.57) MKNK1UCHL1USP30KDRCNR1

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
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed