SCHEMBL7833607

SCHEMBL7833607

NC1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)CC1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.37
FLT4 P35916 1/20 0.37
GSK3B P49841 1/20 0.37
RARB P10826 1/20 0.37
TBXAS1 P24557 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
ABCC4 O15439 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
SCHEMBL7822808 0.90 KMT2A (0.39) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL194042 0.89 EPHA2 (0.37) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL3025485 0.89 EPHA2 (0.37) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL15802906 0.88 EPHA2 (0.36) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7840397 0.87 EPHA2 (0.37) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL12458892 0.86 EPHA2 (0.35) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL16910352 0.85 EPHA2 (0.35) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL196374 0.85 EPHA2 (0.35) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL196264 0.85 EPHA2 (0.35) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL761081 0.85 LMNA (0.38) EPHA2FLT4GSK3BRARBTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787726-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
CN-1053668-C Novel compound, process for producing the same, and antitumor agent DAINIPPON PHARMACEUTICAL CO (JP) 2000-06-21 CN disclosed
US-5817669-A A COMPOUND CONTAINING 1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
CN-1158614-A Novel compound, process for producing the same, and antitumor agent DAINIPPON PHARMACEUTICAL CO (JP) 1997-09-03 CN disclosed
EP-0787726-A1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-08-06 EP disclosed