SCHEMBL20569030

SCHEMBL20569030

CCN1CCN(Cc2cc(NC(=O)c3ccc(C)c(Oc4ncnc5c4OCCN5)c3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 5/20 0.52
MAP3K7 O43318 8/20 0.52
MAP4K2 Q12851 8/20 0.52
MAPK14 Q16539 6/20 0.52
FES P07332 4/20 0.52
FER P16591 4/20 0.52
MAP3K20 Q9NYL2 3/20 0.52
NR2C2 P49116 7/20 0.50
HCK P08631 6/20 0.50
GCK P35557 2/20 0.50
DDR1 Q08345 4/20 0.47
KIT P10721 2/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
RAF1 P04049 1/20 0.47
LYN P07948 1/20 0.47
SRC P12931 1/20 0.47
EPHA2 P29317 1/20 0.47
EPHB2 P29323 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL20569397 0.93 DDR2 (0.48) DDR2MAP3K7MAP4K2MAPK14FES
SCHEMBL20569010 0.91 MAPK14 (0.53) DDR2MAP3K7MAP4K2MAPK14FES
SCHEMBL20568100 0.91 MAP4K2 (0.59) MAP3K7MAP4K2MAPK14FESFER
SCHEMBL20568318 0.86 MAPK14 (0.70) MAP3K7MAP4K2MAPK14FESFER
SCHEMBL20568445 0.85 MAP4K2 (0.60) MAP3K7MAP4K2MAPK14MAP3K20KIT
Hydrochloric Acid SCHEMBL28556290 0.84 KDR (0.53) DDR2MAP3K7MAP4K2MAPK14FES
SCHEMBL20568682 0.83 MAP4K2 (0.60) MAP3K7MAP4K2KITABL1RAF1
SCHEMBL20568525 0.83 TEK (0.55) MAP3K7MAP4K2MAPK14FESFER
SCHEMBL20568684 0.83 MAP3K7 (0.50) MAP3K7MAP4K2MAPK14MAP3K20DDR1
SCHEMBL20570016 0.83 MAP4K2 (0.56) MAP3K7MAP4K2KITABL1LYN

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