SCHEMBL6384752

SCHEMBL6384752

COc1ccc(OC)c2c(O)c(C#N)cnc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.46
▸ HPGDS O60760 1/20 0.42
▸ MAP2K1 Q02750 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ IMPDH1 P20839 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ EGFR P00533 5/20 0.39
▸ ERBB2 P04626 5/20 0.39
▸ SRC P12931 3/20 0.39
▸ RAF1 P04049 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30288410 0.88 SLC6A3 (0.56) SLC6A3HPGDSMAP2K1ALDH1A1KDM4E
SCHEMBL6382093 0.81 SLC6A3 (0.46) SLC6A3HPGDSALDH1A1KDM4EIMPDH2
SCHEMBL30666122 0.74 MAP2K1 (0.36) SLC6A3HPGDSMAP2K1ALDH1A1KDM4E
SCHEMBL26656463 0.74 MAP2K1 (0.36) SLC6A3HPGDSMAP2K1ALDH1A1KDM4E
SCHEMBL24009103 0.74 SLC6A3 (0.56) SLC6A3HPGDSEGFRERBB2SRC
SCHEMBL30288432 0.74 SLC6A3 (0.56) SLC6A3HPGDSEGFRERBB2SRC
SCHEMBL6381848 0.73 EGFR (0.51) MAP2K1EGFRERBB2SRCRAF1
SCHEMBL6380575 0.72 SRC (0.49) MAP2K1EGFRERBB2SRC
SCHEMBL5459454 0.72 MAP2K1 (0.54) HPGDSMAP2K1ALDH1A1KDM4EEGFR
SCHEMBL15279141 0.69 EGFR (0.62) MAP2K1EGFRERBB2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 — — EP disclosed
CN-1190197-C Application of cyanoquinoline in preparing medicine for treating or inhibiting colonic polyp HEWLETT HOLDINGS CORP (US) 2005-02-23 — — CN disclosed
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 — — EP disclosed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 — — EP disclosed
CN-1429126-A Use of cyanoquinolines for treating or inhibiting colonic polyps AMERICAN CYANAMID CO (US) 2003-07-09 — — CN disclosed
EP-1263503-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2002-12-11 — — EP disclosed
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 — — US disclosed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 — — WO disclosed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 — — US disclosed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 — — EP disclosed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 — — WO disclosed
EP-0973746-A1 SUBSTITUTED 3-CYANO QUINOLINES American Cyanamid Company (US) 2000-01-26 — — EP disclosed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 — — US disclosed
WO-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 — — WO disclosed
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