SCHEMBL20569396

SCHEMBL20569396

CN(C)[C@H]1CCN(c2cc(NC(=O)c3ccc(Cl)c(Oc4ncnc5c4OCCN5)c3)cc(C(F)(F)F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.46
KDR P35968 3/20 0.46
MAP4K2 Q12851 3/20 0.46
MAP3K7 O43318 2/20 0.46
CSF1R P07333 3/20 0.44
RET P07949 1/20 0.40
ABL1 P00519 3/20 0.39
DDR1 Q08345 3/20 0.39
DDR2 Q16832 3/20 0.39
BCR P11274 2/20 0.39
SRC P12931 1/20 0.38
KIT P10721 2/20 0.37
LDLR P01130 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
MCHR1 Q99705 1/20 0.37
LYN P07948 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
SCHEMBL20569168 1.00 BRAF (0.46) BRAFKDRMAP4K2MAP3K7CSF1R
SCHEMBL20569165 1.00 BRAF (0.46) BRAFKDRMAP4K2MAP3K7CSF1R
SCHEMBL20569386 0.96 MAP4K2 (0.48) BRAFKDRMAP4K2MAP3K7CSF1R
SCHEMBL20569391 0.95 MAP4K2 (0.46) BRAFKDRMAP4K2MAP3K7CSF1R
SCHEMBL20568115 0.93 MAP4K2 (0.54) BRAFKDRMAP4K2MAP3K7CSF1R
SCHEMBL20568117 0.93 MAP4K2 (0.54) BRAFKDRMAP4K2MAP3K7CSF1R
SCHEMBL20569483 0.93 MAP4K2 (0.47) BRAFKDRMAP4K2MAP3K7CSF1R
SCHEMBL20569560 0.93 MAP4K2 (0.47) BRAFKDRMAP4K2MAP3K7CSF1R
SCHEMBL20569481 0.93 MAP4K2 (0.47) BRAFKDRMAP4K2MAP3K7CSF1R
SCHEMBL20568579 0.92 MAP4K2 (0.46) BRAFKDRMAP4K2MAP3K7CSF1R

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