SCHEMBL20569013

SCHEMBL20569013

O=C(Nc1cc(N2CC[C@H](O)C2)cc(C(F)(F)F)c1)c1ccc(Cl)c(Oc2ncnc3c2OCCN3)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 3/20 0.46
MAP3K7 O43318 2/20 0.46
RET P07949 2/20 0.39
BRAF P15056 7/20 0.39
KDR P35968 4/20 0.39
CSF1R P07333 3/20 0.39
ABL1 P00519 2/20 0.38
SRC P12931 1/20 0.38
KIT P10721 2/20 0.38
LDLR P01130 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
DDR1 Q08345 1/20 0.38
DDR2 Q16832 1/20 0.38
LYN P07948 1/20 0.38
RAF1 P04049 1/20 0.37

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
SCHEMBL20568581 1.00 MAP4K2 (0.46) MAP4K2MAP3K7RETBRAFKDR
SCHEMBL20568579 1.00 MAP4K2 (0.46) MAP4K2MAP3K7RETBRAFKDR
SCHEMBL20569481 0.94 MAP4K2 (0.47) MAP4K2MAP3K7RETBRAFKDR
SCHEMBL20569560 0.94 MAP4K2 (0.47) MAP4K2MAP3K7RETBRAFKDR
SCHEMBL20569483 0.94 MAP4K2 (0.47) MAP4K2MAP3K7RETBRAFKDR
SCHEMBL20568204 0.93 MAP4K2 (0.49) MAP4K2MAP3K7RETBRAFKDR
SCHEMBL20569165 0.92 BRAF (0.46) MAP4K2MAP3K7RETBRAFKDR
SCHEMBL20569168 0.92 BRAF (0.46) MAP4K2MAP3K7RETBRAFKDR
SCHEMBL20569396 0.92 BRAF (0.46) MAP4K2MAP3K7RETBRAFKDR
SCHEMBL20569974 0.92 MAP4K2 (0.49) MAP4K2MAP3K7RETBRAFKDR

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