SCHEMBL30833682

SCHEMBL30833682

CCCCCCC(CC)n1ncc2ccc(N)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ASAH1 Q13510 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3A P49840 1/20 0.33
LIMK1 P53667 1/20 0.33
IKBKE Q14164 1/20 0.33
MAPK14 Q16539 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
TLR8 Q9NR97 2/20 0.32

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
SCHEMBL15653265 0.75 KMO (0.40) KMOMAPTCHEK1AURKADAPK3
SCHEMBL20181741 0.75 ASAH1 (0.42) KMOUSP2POLBASAH1TLR8
SCHEMBL24984421 0.73 ASAH1 (0.35) ASAH1HDAC8GCGR
SCHEMBL30410846 0.73 CHEK1 (0.41) KMOMEN1POLBMAPTHTT
SCHEMBL2144798 0.73 CHEK1 (0.41) KMOMEN1POLBMAPTHTT
SCHEMBL22810558 0.71 ASAH1 (0.44) POLBASAH1TLR8
SCHEMBL22502397 0.71 HTR2A (0.48) KMOMEN1USP2POLBMAPT
SCHEMBL7592164 0.70 KMO (0.39) KMOMAPTCHEK1AURKADAPK3
SCHEMBL24984396 0.70 HDAC8 (0.41) ASAH1HDAC8GCGR
SCHEMBL30833792 0.70 CHEK1 (0.43) KMOMEN1MAPTHTTKMT2A

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
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed