SCHEMBL1385350

SCHEMBL1385350

COCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1C(=O)COc1ccc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.41
F10 P00742 11/20 0.36
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
LYN P07948 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
FRK P42685 1/20 0.32
BLK P51451 1/20 0.32
PTK6 Q13882 1/20 0.32
KIT P10721 1/20 0.32
PDGFRB P09619 1/20 0.32
CSF1R P07333 1/20 0.32

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
SCHEMBL1385345 1.00 MAP4K4 (0.41) MAP4K4F10AURKARPS6KB1LCK
SCHEMBL1385598 0.87 F10 (0.40) F10
SCHEMBL1385602 0.87 F10 (0.40) F10
SCHEMBL1385475 0.83 F10 (0.41) MAP4K4F10
SCHEMBL1385474 0.83 F10 (0.41) MAP4K4F10
SCHEMBL1652232 0.82 F10 (0.44) MAP4K4F10
SCHEMBL4388152 0.82 F10 (0.44) MAP4K4F10
SCHEMBL1386418 0.81 F10 (0.43) F10
SCHEMBL1386423 0.81 F10 (0.43) F10
SCHEMBL4388026 0.81 CCR1 (0.41) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829449-B2 2011-12-07 JP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed