SCHEMBL28056

SCHEMBL28056

Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
FGFR3 P22607 1/20 0.45
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
AOX1 Q06278 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
NQO2 P16083 2/20 0.37
NQO1 P15559 2/20 0.37
WEE1 P30291 1/20 0.37
SMARCA2 P51531 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
PARP1 P09874 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36

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
SCHEMBL29371790 1.00 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL29435144 1.00 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5953239 0.99 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29613355 0.99 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL8542307 0.94 KIT (0.48) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL7640244 0.92 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL27118310 0.91 POLB (0.46) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL24277141 0.90 ALDH1A1 (0.40) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL5140974 0.89 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL30986316 0.89 KIT (0.45) 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

Appears in 2041 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045112-A1 DISULFIRAM AND OTHER REDOX-RELATED COMPOSITIONS FOR BRAIN TUMORS TEXAS TECH UNIVERSITY SYSTEM 2023-02-09 US claimed
EP-2805945-B1 Amide substituted indazoles as poly(ADP-ribose)polymerase (PARP) inhibitors MSD ITALIA SRL (IT) 2019-04-03 EP claimed
EP-2603222-B1 COMBINATORY CANCER TREATMENT UNIV MONTREAL (CA) 2018-10-17 EP claimed
US-20160346231-A1 Disulfiram Compositions and Treatments for Brain Tumors TEXAS TECH UNIVERSITY SYSTEM 2016-12-01 US claimed
WO-2016168670-A2 METHODS FOR EXTENDING LIFESPAN AND METHODS OF SCREENING KNOWN PHARMACOLOGICAL AGENTS FOR NEW USES LONGEVICA THERAPEUTICS INC. (US) 2016-10-20 WO claimed
WO-2015120254-A1 DISULFIRAM COMPOSITIONS AND TREATMENTS FOR BRAIN TUMORS TEXAS TECH UNIVERSITY SYSTEM (US) 2015-08-13 WO claimed
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. 2014-10-09 US claimed
US-8779171-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2014-07-15 US claimed
US-20130209578-A1 Combinatory Cancer Treatment UNIVERSITE DE MONTREAL (CA) 2013-08-15 US claimed
EP-2603222-A1 COMBINATORY CANCER TREATMENT UNIVERSITE DE MONTREAL (CA) 2013-06-19 EP claimed
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2013-06-06 US claimed
WO-2012019284-A1 COMBINATORY CANCER TREATMENT UNIVERSITE DE MONTREAL (CA) 2012-02-16 WO claimed
US-20060105961-A1 Method of using a cox-2 inhibitor and a topoisomerase II inhibitor as a combination therapy in the treatment of neoplasia PHARMACIA CORPORATION (US) 2006-05-18 US claimed
US-20030225150-A1 Method of using a COX-2 inhibitor and a topoisomerase II inhibitor as a combination therapy in the treatment of neoplasia PHARMACIA CORPORATION 2003-12-04 US claimed
EP-0591058-B1 Ellipticine derivatives with antitumor activity ADIR (FR) 1998-06-03 EP claimed
US-5407940-A Antitumor agents ADIR ET COMPAGNIE (FR) 1995-04-18 US claimed
EP-0591058-A1 Ellipticine derivatives with antitumor activity ADIR ET COMPAGNIE (FR) 1994-04-06 EP claimed
JP-6211852-A None JP disclosed
JP-H06211852-A NOVEL ELLIPTICINE COMPOUND, ITS PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING IT ADIR 1994-08-02 JP disclosed
EP-0591058-A1 Ellipticine derivatives with antitumor activity ADIR ET COMPAGNIE (FR) 1994-04-06 EP disclosed