SCHEMBL7842528

SCHEMBL7842528

CCCc1c(O)ccc2c1c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
FGFR3 P22607 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 5/20 0.33
FLT3 P36888 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL7841083 0.92 ALDH1A1 (0.38) KITPDGFRAFGFR3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8394662 0.91 KMT2A (0.37) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL7839102 0.90 POLB (0.40) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL7839222 0.89 POLB (0.36) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL29435144 0.83 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL28056 0.83 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL29371790 0.83 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29613355 0.83 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5953239 0.83 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL27118310 0.82 POLB (0.46) KITPDGFRAFGFR3KDM4EALDH1A1

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
US-5919791-A ANTITUMOR AGENTS ADIR ET COMPAGNIE (FR) 1999-07-06 US claimed
EP-0850939-B1 Ellipticine derivatives, their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-05-09 EP disclosed
US-5919791-A ANTITUMOR AGENTS ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0850939-A1 Ellipticine derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-07-01 EP disclosed