SCHEMBL7737770

SCHEMBL7737770

O=C1C=CC(=O)C(c2c[nH]c3ccc(Br)cc23)=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
FLT1 P17948 2/20 0.44
KDR P35968 2/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
IGF1R P08069 1/20 0.44
KIT P10721 1/20 0.44
FLT4 P35916 1/20 0.44
TEK Q02763 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
CAMK2D Q13557 2/20 0.44
CDK5 Q00535 3/20 0.43
CLK1 P49759 2/20 0.43
CDK5R1 Q15078 2/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43
HTR2A P28223 2/20 0.43
PIM1 P11309 2/20 0.43

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
SCHEMBL21814328 0.82 LMNA (0.44) PDGFRBHTR1AHTR7HTR2ASLC6A4
SCHEMBL27721368 0.82 PTPN11 (0.56) GPR84HTR1AHTR7HTR6HTR2A
SCHEMBL1158441 0.78 PTPRC (0.60) PDGFRBCAMK2DPIM1PRKACAGSK3B
SCHEMBL5429556 0.77 GPR84 (0.62) EGFRGPR84CDK5CLK1CDK5R1
SCHEMBL5879252 0.77 PDGFRB (0.50) PDGFRBPDGFRAFLT1KDREGFR
SCHEMBL28514484 0.76 PTPN1 (0.55) PDGFRBPDGFRAFLT1KDREGFR
SCHEMBL28046859 0.76 PTPN11 (0.47) EGFRGPR84HTR7CYP1A2IDO1
SCHEMBL7826604 0.75 KDR (0.68) PDGFRBPDGFRAFLT1KDREGFR
SCHEMBL27769958 0.74 DYRK1A (0.52) PDGFRBPDGFRAFLT1KDRIGF1R
SCHEMBL27750430 0.73 PTPN11 (0.56) GPR84GSK3BNR4A2IDO1PTPN1

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
EP-0959881-A4 SYNTHETIC METHODS FOR THE PREPARATION OF INDOLYLQUINONES AND MONO- AND BIS-INDOLYLQUINONES PREPARED THEREFROM SUGEN INC (US) 2001-06-27 EP disclosed
EP-0959881-A1 SYNTHETIC METHODS FOR THE PREPARATION OF INDOLYLQUINONES AND MONO- AND BIS-INDOLYLQUINONES PREPARED THEREFROM Sugen, Inc. (US) 1999-12-01 EP disclosed
US-5786488-A DEHYDROBROMINATION OF A DIBROMOBENZOQUINONES WITH AT LEAST ONE INDOLES IN A POLAR SOLVENT AND A METAL CARBONATE TO FORM AN ANTITUMOR AGENT SUGEN, INC. (US) 1998-07-28 US disclosed
WO-1998020874-A1 SYNTHETIC METHODS FOR THE PREPARATION OF INDOLYLQUINONES AND MONO- AND BIS-INDOLYLQUINONES PREPARED THEREFROM SUGEN, INC. (US) 1998-05-22 WO disclosed