SCHEMBL20568684

SCHEMBL20568684

CCN1CCN(c2cc(NC(=O)c3ccc(Cl)c(Oc4ncnc5c4OCCN5)c3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.50
MAP4K2 Q12851 3/20 0.50
BRAF P15056 14/20 0.47
KDR P35968 1/20 0.44
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43
RAF1 P04049 3/20 0.43
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
NTRK1 P04629 1/20 0.42
DDR1 Q08345 1/20 0.42
MAPK14 Q16539 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41

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
SCHEMBL20568729 0.95 MAP4K2 (0.51) MAP3K7MAP4K2BRAFKDRDDR1
SCHEMBL20568100 0.93 MAP4K2 (0.59) MAP3K7MAP4K2BRAFRAF1MAPK14
SCHEMBL20570131 0.93 MAP4K2 (0.59) MAP3K7MAP4K2BRAFKDRDDR1
SCHEMBL20568451 0.92 MAP4K2 (0.48) MAP3K7MAP4K2BRAFKDRDDR1
SCHEMBL20568292 0.92 MAP4K2 (0.48) MAP3K7MAP4K2BRAFKDR
SCHEMBL20568121 0.92 MAP4K2 (0.51) MAP3K7MAP4K2BRAFKDRRAF1
SCHEMBL20568648 0.92 MAP4K2 (0.51) MAP3K7MAP4K2BRAFKDRDDR1
SCHEMBL20569506 0.91 MAP4K2 (0.51) MAP3K7MAP4K2BRAFKDRDDR1
SCHEMBL20569081 0.91 MAP4K2 (0.50) MAP3K7MAP4K2BRAFKDRDDR1
SCHEMBL20569397 0.91 DDR2 (0.48) MAP3K7MAP4K2KDRDDR1MAPK14

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