SCHEMBL18154671

SCHEMBL18154671

COc1cnc(N)nc1Nc1cc(C)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AURKA O14965 9/20 0.46
AURKB Q96GD4 8/20 0.46
GSK3B P49841 5/20 0.45
SRC P12931 3/20 0.45
PLK4 O00444 2/20 0.43
PAK4 O96013 1/20 0.43
DAPK3 O43293 1/20 0.42
STK17B O94768 1/20 0.42
DAPK1 P53355 1/20 0.42
STK17A Q9UEE5 1/20 0.42
IGF1R P08069 3/20 0.42
FGFR1 P11362 2/20 0.41
KDR P35968 2/20 0.41
INSR P06213 1/20 0.41
JAK2 O60674 4/20 0.39
JAK3 P52333 3/20 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
SCHEMBL30353148 1.00 MEN1 (0.47) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL14771711 0.84 PLK4 (0.55) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL14771709 0.78 IGF1R (0.46) AURKAAURKBGSK3BSRCPLK4
SCHEMBL18154783 0.78 MEN1 (0.49) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL30353138 0.78 MEN1 (0.49) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL30505027 0.74 MEN1 (0.43) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL217329 0.74 JAK2 (0.56) AURKAAURKBPLK4PAK4FGFR1
SCHEMBL14771708 0.70 ALDH1A1 (0.47) KMT2AAURKAAURKBGSK3BDAPK3
SCHEMBL29537888 0.70 ITK (0.62) AURKAAURKBSRCIGF1RFGFR1
SCHEMBL588436 0.69 JAK2 (0.59) AURKBJAK2JAK3

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-3283482-A1 PLK4 INHIBITORS Ludwig Institute for Cancer Research Ltd (CH) 2018-02-21 EP disclosed
WO-2016166604-A1 PLK4 INHIBITORS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2016-10-20 WO disclosed