SCHEMBL8910755

SCHEMBL8910755

COC(=O)C1=C(C)c2c(C)c3c(cc2=N1)-c1ccccc1N=3

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
PDK2 Q15119 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
HSP90AA1 P07900 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.32
FLT3 P36888 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
SLC2A1 P11166 1/20 0.31

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
SCHEMBL8910147 0.87 LMNA (0.31) MAPTLMNAHTTPDK2HSP90AA1
SCHEMBL8142537 0.86 MYC (0.34) TSHRMAPTHTTKDM4EKMT2A
SCHEMBL8910392 0.86 CCNB2 (0.32) MAPTLMNAHTTCCNB2CDK1
SCHEMBL8536552 0.84 GAA (0.32) MAPTLMNAHTTHSP90AA1SMN1; SMN2
SCHEMBL8148024 0.83 TDP2 (0.40) MAPTHTTPOLBMEN1KMT2A
SCHEMBL8153428 0.83 TP53 (0.36) TSHRMAPTLMNAHTTSMN1; SMN2
SCHEMBL8149803 0.82 TP53 (0.37) MAPTLMNAHTTSMN1; SMN2POLB
SCHEMBL8156114 0.82 CHRM2 (0.38) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL8146061 0.82 TP53 (0.37) MAPTLMNAHTTSMN1; SMN2POLB
SCHEMBL8910285 0.82 PARP10 (0.44) MAPTKDM4EPOLBKMT2AGAA

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
US-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US disclosed
WO-1994002483-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-03 WO disclosed