SCHEMBL20568417

SCHEMBL20568417

CN1CCN(c2cc(NC(=O)c3ccc(Oc4ncnc5c4OCCN5)cc3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.56
MAP4K2 Q12851 2/20 0.56
CSF1R P07333 1/20 0.48
LYN P07948 1/20 0.48
KIT P10721 1/20 0.48
BRAF P15056 7/20 0.46
DDR1 Q08345 1/20 0.46
DDR2 Q16832 1/20 0.46
KDR P35968 1/20 0.45
ABL1 P00519 3/20 0.45
RET P07949 1/20 0.43
SRC P12931 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HCK P08631 1/20 0.42
NR2C2 P49116 1/20 0.42
BTK Q06187 1/20 0.42
LDLR P01130 1/20 0.41
PCSK9 Q8NBP7 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
SCHEMBL20568823 0.92 MAP3K7 (0.54) MAP3K7MAP4K2CSF1RLYNKIT
SCHEMBL20568092 0.92 RET (0.51) MAP3K7MAP4K2BRAFKDRRET
SCHEMBL20568408 0.91 MAP4K2 (0.69) MAP3K7MAP4K2CSF1RLYNKIT
SCHEMBL20570131 0.90 MAP4K2 (0.59) MAP3K7MAP4K2CSF1RLYNKIT
SCHEMBL20569635 0.90 MAP3K7 (0.57) MAP3K7MAP4K2CSF1RLYNKIT
SCHEMBL28555631 0.88 MAP3K7 (0.56) MAP3K7MAP4K2CSF1RLYNKIT
SCHEMBL20568112 0.87 KDR (0.54) MAP3K7MAP4K2KITBRAFKDR
SCHEMBL20569399 0.84 MAP3K7 (0.51) MAP3K7MAP4K2BRAFKDRRET
SCHEMBL20568682 0.84 MAP4K2 (0.60) MAP3K7MAP4K2CSF1RKITBRAF
SCHEMBL20568109 0.83 RET (0.50) MAP3K7MAP4K2BRAFKDRRET

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