SCHEMBL806554

SCHEMBL806554

C=C(N)Nc1nnc(-c2cc(CC)c(O)cc2C)n1-c1cccc2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 11/20 0.36
PHGDH O43175 1/20 0.34
HPGDS O60760 1/20 0.33
GAA P10253 2/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRD3 Q15059 1/20 0.31
BRDT Q58F21 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
DHFR P00374 1/20 0.31
GPR52 Q9Y2T5 1/20 0.31

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
SCHEMBL12180125 0.86 GOT1 (0.39) GOT1PHGDHHPGDSGAABRD4
SCHEMBL12286232 0.85 GPR52 (0.33) GOT1PHGDHGAAMEN1KMT2A
SCHEMBL806552 0.84 GAA (0.34) GOT1PHGDHHPGDSGAABRD4
SCHEMBL14933295 0.84 BRD4 (0.38) GOT1PHGDHHPGDSGAABRD4
SCHEMBL12287242 0.81 EZH2 (0.33)
SCHEMBL13983476 0.77 HSP90AA1 (0.53)
SCHEMBL9925250 0.76 GOT1 (0.36) GOT1HPGDSGAABRD4BRD2
SCHEMBL806553 0.76 HSP90AA1 (0.40) GOT1HPGDSGAAMAPTDHFR
SCHEMBL13983147 0.76 HSP90AA1 (0.43) GAAALDH1A1MAPTKMT2A
SCHEMBL14342348 0.76 GOT1 (0.39) GOT1PHGDHGAAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013170159-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 WO disclosed
WO-2013074594-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH BRAF INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2013-05-23 WO disclosed
WO-2013067162-A1 CANCER THERAPY USING A COMBINATION OF HSP90 INHIBITORS WITH TOPOISOMERASE I INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2013-05-10 WO disclosed
WO-2012162584-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2012-11-29 WO disclosed
WO-2012037072-A1 HSP90 INHIBITORS FOR TREATING NON-SMALL CELL LUNG CANCERS IN WILD-TYPE EGFR AND/OR KRAS PATIENTS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-03-22 WO disclosed
WO-2011149824-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUND AND A TOPOISOMERASE II INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 WO disclosed
WO-2011146803-A1 METHOD OF TREATING LUNG ADENOCARCINOMA WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO disclosed