SCHEMBL20568434

SCHEMBL20568434

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
MAPK1 P28482 1/20 0.62
ATM Q13315 1/20 0.62
HCK P08631 2/20 0.61
NR2C2 P49116 2/20 0.61
EPHA2 P29317 1/20 0.60
KIT P10721 3/20 0.59
CLK1 P49759 1/20 0.59
MAPT P10636 1/20 0.57
CSF1R P07333 1/20 0.57
MAP3K7 O43318 4/20 0.56
MAP4K2 Q12851 4/20 0.56
MAPK14 Q16539 4/20 0.56
FES P07332 2/20 0.56
FER P16591 2/20 0.56
MAP3K20 Q9NYL2 1/20 0.56
EGFR P00533 1/20 0.56
BRAF P15056 1/20 0.56
SRC P12931 1/20 0.56
GCK P35557 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
SCHEMBL3389535 0.90 HTT (0.71) HTTMAPK1ATMHCKNR2C2
SCHEMBL20568437 0.90 EPHA2 (0.61) HTTMAPK1ATMHCKNR2C2
SCHEMBL2226481 0.86 HTT (0.68) HTTMAPK1ATMHCKNR2C2
SCHEMBL20569514 0.85 EPHA2 (0.57) HTTMAPK1ATMHCKNR2C2
SCHEMBL26215628 0.85 HTT (0.58) HTTMAPK1ATMHCKNR2C2
SCHEMBL1420251 0.85 EPHA2 (0.62) HTTMAPK1ATMEPHA2KIT
SCHEMBL28054362 0.84 HTT (0.65) HTTMAPK1ATMHCKNR2C2
SCHEMBL30309801 0.83 KIT (0.69) HTTMAPK1ATMHCKNR2C2
SCHEMBL26680109 0.83 KIT (0.69) HTTMAPK1ATMHCKNR2C2
SCHEMBL4260023 0.82 HTT (0.66) HTTMAPK1ATMHCKNR2C2

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