SCHEMBL20568437

SCHEMBL20568437

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.61
HTT P42858 3/20 0.61
KIT P10721 3/20 0.60
CLK1 P49759 1/20 0.60
MAPK1 P28482 2/20 0.59
ATM Q13315 2/20 0.59
MAPT P10636 2/20 0.58
HCK P08631 2/20 0.57
NR2C2 P49116 2/20 0.57
CSF1R P07333 1/20 0.57
MAP3K7 O43318 2/20 0.57
FES P07332 2/20 0.57
FER P16591 2/20 0.57
MAP4K2 Q12851 2/20 0.57
MAPK14 Q16539 2/20 0.57
RET P07949 2/20 0.57
GCK P35557 1/20 0.57
BRAF P15056 1/20 0.56
POLB P06746 1/20 0.56
RAD52 P43351 1/20 0.56

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
SCHEMBL20568434 0.90 HTT (0.62) EPHA2HTTKITCLK1MAPK1
SCHEMBL26680109 0.89 KIT (0.69) HTTKITCLK1MAPK1ATM
SCHEMBL30309801 0.89 KIT (0.69) HTTKITCLK1MAPK1ATM
SCHEMBL20569514 0.86 EPHA2 (0.57) EPHA2HTTKITCLK1MAPK1
SCHEMBL1420251 0.85 EPHA2 (0.62) EPHA2HTTKITCLK1MAPK1
SCHEMBL28054362 0.85 HTT (0.65) HTTKITCLK1MAPK1ATM
SCHEMBL20568827 0.84 EPHA2 (0.63) EPHA2HTTKITCLK1MAPK1
SCHEMBL3389535 0.83 HTT (0.71) HTTKITCLK1MAPK1ATM
SCHEMBL16236899 0.83 KIT (0.86) HTTKITCLK1MAPK1ATM
SCHEMBL1420613 0.82 CHRM4 (0.67) EPHA2HTTKITCLK1MAPK1

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 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