SCHEMBL20569010

SCHEMBL20569010

CCN1CCN(Cc2cc(NC(=O)c3ccc(C)c(Oc4ccnc5c4OCCN5)c3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.53
DDR2 Q16832 8/20 0.53
MAP3K7 O43318 6/20 0.53
MAP4K2 Q12851 6/20 0.53
MAP3K20 Q9NYL2 4/20 0.53
FES P07332 3/20 0.53
FER P16591 3/20 0.53
ABL1 P00519 2/20 0.53
MAP4K4 O95819 1/20 0.53
RAF1 P04049 1/20 0.53
LYN P07948 1/20 0.53
SRC P12931 1/20 0.53
EPHA2 P29317 1/20 0.53
EPHB2 P29323 1/20 0.53
FLT3 P36888 1/20 0.53
CSK P41240 1/20 0.53
ABL2 P42684 1/20 0.53
EPHB4 P54760 1/20 0.53
HCK P08631 4/20 0.47
NR2C2 P49116 4/20 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
SCHEMBL20569030 0.91 DDR2 (0.52) MAPK14DDR2MAP3K7MAP4K2MAP3K20
SCHEMBL20569395 0.90 MAP4K2 (0.54) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20569643 0.86 MAPK14 (0.71) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20569397 0.84 DDR2 (0.48) MAPK14DDR2MAP3K7MAP4K2MAP3K20
SCHEMBL20568959 0.83 MAP4K2 (0.55) MAPK14MAP3K7MAP4K2ABL1RAF1
SCHEMBL20570160 0.82 MAP4K2 (0.63) DDR2MAP3K7MAP4K2ABL1LYN
SCHEMBL20568100 0.82 MAP4K2 (0.59) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20569649 0.81 MAPK14 (0.54) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL20568290 0.80 MAP4K2 (0.53) MAP3K7MAP4K2ABL1RAF1LYN
SCHEMBL20568526 0.79 MAP4K2 (0.49) 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