SCHEMBL20569334

SCHEMBL20569334

O=C(Nc1cc(N2CCN(C3COC3)CC2)cc(C(F)(F)F)c1)c1ccc(Cl)c(Oc2ccnc3c2OCCN3)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 4/20 0.43
MAP3K7 O43318 3/20 0.43
CSF1R P07333 2/20 0.41
KIT P10721 2/20 0.40
LYN P07948 1/20 0.40
BRAF P15056 5/20 0.38
KDR P35968 4/20 0.38
ABL1 P00519 3/20 0.38
RAF1 P04049 1/20 0.37
LDLR P01130 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37
NR2E1 Q9Y466 1/20 0.36
SRC P12931 1/20 0.36
TEK Q02763 1/20 0.36

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
SCHEMBL20568290 0.92 MAP4K2 (0.53) MAP4K2MAP3K7CSF1RKITLYN
SCHEMBL20568701 0.91 MAP4K2 (0.49) MAP4K2MAP3K7CSF1RKITLYN
SCHEMBL20568260 0.90 MAP3K7 (0.53) MAP4K2MAP3K7CSF1RKITLYN
SCHEMBL20569562 0.86 MAP4K2 (0.49) MAP4K2MAP3K7CSF1RKITLYN
SCHEMBL20568959 0.83 MAP4K2 (0.55) MAP4K2MAP3K7CSF1RKITBRAF
SCHEMBL20570160 0.83 MAP4K2 (0.63) MAP4K2MAP3K7CSF1RKITLYN
SCHEMBL20568204 0.82 MAP4K2 (0.49) MAP4K2MAP3K7CSF1RKITLYN
SCHEMBL20568121 0.82 MAP4K2 (0.51) MAP4K2MAP3K7CSF1RBRAFKDR
SCHEMBL20570131 0.82 MAP4K2 (0.59) MAP4K2MAP3K7CSF1RKITLYN
SCHEMBL20569395 0.81 MAP4K2 (0.54) MAP4K2MAP3K7KITLYNBRAF

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