SCHEMBL20569643

SCHEMBL20569643

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5c4OCCN5)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.71
MAP3K7 O43318 7/20 0.71
MAP4K2 Q12851 7/20 0.71
MAP3K20 Q9NYL2 4/20 0.71
FES P07332 4/20 0.71
FER P16591 4/20 0.71
MAP4K4 O95819 1/20 0.71
ABL1 P00519 1/20 0.71
RAF1 P04049 1/20 0.71
LYN P07948 1/20 0.71
SRC P12931 1/20 0.71
EPHA2 P29317 1/20 0.71
EPHB2 P29323 1/20 0.71
FLT3 P36888 1/20 0.71
CSK P41240 1/20 0.71
ABL2 P42684 1/20 0.71
EPHB4 P54760 1/20 0.71
NR2C2 P49116 11/20 0.65
HCK P08631 10/20 0.65
GCK P35557 3/20 0.65

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
SCHEMBL20568310 0.93 MAPK14 (0.61) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20568318 0.91 MAPK14 (0.70) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20569079 0.90 MAPK14 (0.70) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20569649 0.87 MAPK14 (0.54) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20569010 0.86 MAPK14 (0.53) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20567870 0.86 MAP3K7 (0.62) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20568763 0.85 MAP3K7 (0.62) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20569927 0.85 ABL1 (0.61) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20568307 0.84 MAP3K7 (0.61) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20568996 0.84 MAPK14 (0.60) MAPK14MAP3K7MAP4K2MAP3K20FES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601752-A Novel inhibitors of MAP4K1 伊克诺斯科学公司 2021-04-02 CN claimed
EP-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP claimed
WO-2018215668-A1 NOVEL INHIBITORS OF MAP4K1 GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-29 WO claimed