SCHEMBL8549461

SCHEMBL8549461

CCn1c2ccc(O)cc2c2cc3c(C(=O)NCCN(C)C)nccc3c(C)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FGFR3 P22607 1/20 0.39
WEE1 P30291 4/20 0.38
AOX1 Q06278 1/20 0.38
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
NQO2 P16083 2/20 0.36
NQO1 P15559 2/20 0.36
SMARCA2 P51531 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
POLB P06746 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
CHEK1 O14757 3/20 0.35
NPY5R Q15761 1/20 0.35
FYN P06241 2/20 0.35
MITF O75030 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL28056 0.89 KIT (0.45) KITPDGFRAFGFR3WEE1AOX1
SCHEMBL29435144 0.89 KIT (0.45) KITPDGFRAFGFR3WEE1AOX1
SCHEMBL29371790 0.89 KIT (0.45) KITPDGFRAFGFR3WEE1AOX1
Hydrochloric Acid SCHEMBL29613355 0.88 KIT (0.45) KITPDGFRAFGFR3WEE1AOX1
Hydrochloric Acid SCHEMBL5953239 0.88 KIT (0.45) KITPDGFRAFGFR3WEE1AOX1
SCHEMBL8542307 0.84 KIT (0.48) KITPDGFRAFGFR3NQO2NQO1
SCHEMBL7640244 0.81 KIT (0.45) KITPDGFRAFGFR3WEE1AOX1
SCHEMBL27118310 0.80 POLB (0.46) KITPDGFRAFGFR3CCNKCDK12
SCHEMBL8548702 0.80 LMNA (0.45) POLBGAA
SCHEMBL24277141 0.79 ALDH1A1 (0.40) KITPDGFRAFGFR3CCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591058-B1 Ellipticine derivatives with antitumor activity ADIR (FR) 1998-06-03 EP disclosed
US-5498611-A ANTITUMOR AGENTS ADIR ET COMPAGNIE (FR) 1996-03-12 US disclosed
US-5407940-A Antitumor agents ADIR ET COMPAGNIE (FR) 1995-04-18 US disclosed
EP-0591058-A1 Ellipticine derivatives with antitumor activity ADIR ET COMPAGNIE (FR) 1994-04-06 EP disclosed