SCHEMBL4593791

SCHEMBL4593791

CC(C)(C)OC(=O)N1CCC(COc2cc(Nc3ncc(-c4ccccc4)s3)ncn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
TBK1 Q9UHD2 3/20 0.44
MMP13 P45452 2/20 0.44
MMP1 P03956 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
USP30 Q70CQ3 2/20 0.42
KIT P10721 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
YAP1 P46937 1/20 0.42
ACKR3 P25106 1/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL4592898 0.84 KDR (0.51) KDRTBK1GPR119
SCHEMBL4593789 0.83 KDR (0.43) KDRMKNK1USP30KIT
SCHEMBL4585264 0.79 CHEK1 (0.51) KDR
SCHEMBL28599209 0.77 ACKR3 (0.60) KDM4EPKMMMP13MMP1MKNK1
SCHEMBL19017744 0.77 ACKR3 (0.60) KDM4EPKMMMP13MMP1MKNK1
SCHEMBL15641367 0.75 KDR (0.51) KDRTBK1
SCHEMBL14240508 0.75 MMP13 (0.46) KDRMMP13MMP1MKNK1USP30
SCHEMBL14239643 0.75 KDR (0.46) KDRMKNK1GPR119
SCHEMBL28497363 0.75 MKNK1 (0.67) MMP13MMP1MKNK1USP30ACKR3
SCHEMBL19296045 0.75 MKNK1 (0.67) MMP13MMP1MKNK1USP30ACKR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558609-A4 KINASE INHIBITORS MERCK & CO INC (US) 2008-05-28 EP claimed
EP-1558609-A2 KINASE INHIBITORS Merck & Co., Inc. (US) 2005-08-03 EP claimed
WO-2004041164-A2 KINASE INHIBITORS MERCK & CO., INC. (US) 2004-05-21 WO claimed
EP-1558609-A4 KINASE INHIBITORS MERCK & CO INC (US) 2008-05-28 EP disclosed
EP-1558609-A2 KINASE INHIBITORS Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004041164-A2 KINASE INHIBITORS MERCK & CO., INC. (US) 2004-05-21 WO disclosed