SCHEMBL20568192

SCHEMBL20568192

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Cl)c(Oc4ncnc5c4OCCN5)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.55
MAP3K7 O43318 7/20 0.55
MAP4K2 Q12851 7/20 0.55
MAPK14 Q16539 5/20 0.55
KDR P35968 5/20 0.55
HCK P08631 5/20 0.55
FES P07332 4/20 0.55
FER P16591 4/20 0.55
MKNK2 Q9HBH9 4/20 0.55
FGFR1 P11362 3/20 0.55
MKNK1 Q9BUB5 3/20 0.55
MAP3K20 Q9NYL2 2/20 0.55
SRC P12931 2/20 0.55
ABL1 P00519 2/20 0.55
BCR P11274 2/20 0.55
STK25 O00506 1/20 0.55
CIT O14578 1/20 0.55
MAP2K7 O14733 1/20 0.55
IKBKB O14920 1/20 0.55
AURKA O14965 1/20 0.55

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
SCHEMBL20568582 0.94 MAP3K7 (0.55) RETMAP3K7MAP4K2MAPK14KDR
SCHEMBL20568477 0.93 MAP3K7 (0.60) MAP3K7MAP4K2MAPK14HCKFES
SCHEMBL20569441 0.93 MAP3K7 (0.56) MAP3K7MAP4K2MAPK14HCKFES
SCHEMBL20568844 0.91 MAP3K7 (0.55) RETMAP3K7MAP4K2MAPK14KDR
SCHEMBL20569489 0.91 ABL1 (0.65) RETMAP3K7MAP4K2MAPK14KDR
SCHEMBL20568621 0.90 KDR (0.63) RETMAP3K7MAP4K2MAPK14KDR
SCHEMBL20568097 0.89 MAP3K7 (0.59) MAP3K7MAP4K2MAPK14HCKFES
SCHEMBL20569006 0.88 MAP3K7 (0.51) RETMAP3K7MAP4K2MAPK14KDR
SCHEMBL20568747 0.87 MAP3K7 (0.54) RETMAP3K7MAP4K2MAPK14HCK
SCHEMBL20568423 0.87 ABL1 (0.54) RETMAP3K7MAP4K2MAPK14HCK

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