SCHEMBL8796475

SCHEMBL8796475

CC1=C(C(N)=O)N=c2c1c(C)cc1c2=Nc2ccccc2-1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.35
IKBKB O14920 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3A P49840 5/20 0.32
GSK3B P49841 5/20 0.32
CDK5 Q00535 5/20 0.32
CDK5R1 Q15078 5/20 0.32
CCNB2 O95067 3/20 0.32
CDK1 P06493 3/20 0.32
CCNB1 P14635 3/20 0.32
CCNB3 Q8WWL7 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
TTR P02766 1/20 0.31
BCAT2 O15382 1/20 0.31
MAP2 P11137 1/20 0.31
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL9057850 0.78 MYC (0.36) MYCIKBKBTTR
SCHEMBL8797191 0.70 RAB9A (0.47) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8910392 0.69 CCNB2 (0.32) GSK3AGSK3BCDK5CDK5R1CCNB2
SCHEMBL8142537 0.69 MYC (0.34) MYCKMT2AGSK3AGSK3BCDK5
SCHEMBL8797844 0.69 NPC1 (0.36) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8536552 0.69 GAA (0.32) ALDH1A1LMNAHSP90AA1MAPTHTT
SCHEMBL8149445 0.65 TERT (0.36) MEN1KMT2ASMN1; SMN2BRD4
SCHEMBL8910714 0.64 ALDH1A1 (0.34) MEN1KMT2AALDH1A1LMNAHSP90AA1
SCHEMBL8909578 0.64 HPGD (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL191346 0.62 IDO1 (0.40) MEN1KMT2AALDH1A1LMNAHSP90AA1

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-0769012-A1 TETRACYCLIC DERIVATIVES AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1997-04-23 EP disclosed
WO-1996001827-A1 TETRACYCLIC DERIVATIVES AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-01-25 WO disclosed