SCHEMBL20568529

SCHEMBL20568529

Cc1ccc(C(=O)Nc2cc(N3CCC(N(C)C)C3)cc(C(F)(F)F)c2)cc1Oc1ccnc2c1OCCN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 5/20 0.49
MAP3K7 O43318 4/20 0.49
CSF1R P07333 3/20 0.48
BRAF P15056 9/20 0.47
KDR P35968 1/20 0.47
KIT P10721 2/20 0.46
LDLR P01130 1/20 0.46
PCSK9 Q8NBP7 1/20 0.46
LYN P07948 2/20 0.41
ABL1 P00519 3/20 0.40
RAF1 P04049 2/20 0.40
SRC P12931 2/20 0.39
MAP4K4 O95819 1/20 0.39
FES P07332 1/20 0.39
FER P16591 1/20 0.39
EPHA2 P29317 1/20 0.39
EPHB2 P29323 1/20 0.39
FLT3 P36888 1/20 0.39
CSK P41240 1/20 0.39
ABL2 P42684 1/20 0.39

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
SCHEMBL20568526 1.00 MAP4K2 (0.49) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20568115 0.92 MAP4K2 (0.54) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20568117 0.92 MAP4K2 (0.54) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20568959 0.88 MAP4K2 (0.55) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20570160 0.88 MAP4K2 (0.63) MAP4K2MAP3K7CSF1RBRAFKIT
SCHEMBL20568290 0.86 MAP4K2 (0.53) MAP4K2MAP3K7CSF1RBRAFKIT
SCHEMBL20569395 0.86 MAP4K2 (0.54) MAP4K2MAP3K7BRAFKITLDLR
SCHEMBL20569165 0.84 BRAF (0.46) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20569396 0.84 BRAF (0.46) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20567971 0.84 MAP4K2 (0.62) MAP4K2MAP3K7CSF1RBRAFKIT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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