SCHEMBL13667124

SCHEMBL13667124

CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc(N)c2O)c2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4D Q08499 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
BRAF P15056 3/20 0.35
TDP2 O95551 1/20 0.35
MAP4K4 O95819 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
KDR P35968 2/20 0.35
AURKA O14965 1/20 0.35
LCK P06239 1/20 0.35
TEK Q02763 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL12790198 0.91 HTT (0.41) METAP1HTTHSD17B10PDE4DMEN1
SCHEMBL12847501 0.86 MAPT (0.39) METAP1HTTHSD17B10MEN1KMT2A
SCHEMBL13667088 0.84 KDM4E (0.39) METAP1HTTHSD17B10ALDH1A1HPGD
SCHEMBL14723649 0.84 SLC40A1 (0.45) METAP1HTTHSD17B10MEN1KMT2A
SCHEMBL12847422 0.83 SRC (0.41) METAP1PDE4DKDM4EBRAFTDP2
SCHEMBL2936138 0.79 BRAF (0.43) BRAFAAK1KDRAURKALCK
SCHEMBL13667125 0.78 SRC (0.39) METAP1HTTHSD17B10ALDH1A1HPGD
SCHEMBL12847306 0.78 MAPT (0.43) METAP1PDE4DMEN1KMT2AKDM4E
SCHEMBL1133650 0.78 KMT2A (0.48) METAP1HTTHSD17B10PDE4DMEN1
SCHEMBL12847307 0.78 BRAF (0.55) HTTHSD17B10BRAFHCKSRC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009130487-A1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-29 WO disclosed