SCHEMBL6616183

SCHEMBL6616183

Brc1cccc(-c2cnc3cc4[nH]ncc4cc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
MAPK1 P28482 1/20 0.46
METAP2 P50579 3/20 0.45
DYRK1A Q13627 3/20 0.45
NOS1 P29475 2/20 0.45
CSNK2A1 P68400 1/20 0.45
IDO1 P14902 1/20 0.44
BIRC5 O15392 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
HPGD P15428 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39

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
SCHEMBL6617105 1.00 EGFR (0.47) EGFRMAPK1METAP2DYRK1ANOS1
SCHEMBL6616738 0.85 SMN1; SMN2 (0.58) MAPK1DYRK1ACSNK2A1NPC1RAB9A
SCHEMBL6618137 0.84 CDC7 (0.50) MAPK1DYRK1ANOS1IDO1NPC1
SCHEMBL6618680 0.84 CDC7 (0.50) MAPK1DYRK1ANOS1IDO1NPC1
SCHEMBL6617359 0.84 BCHE (0.54) MAPK1DYRK1ACSNK2A1IDO1NPC1
SCHEMBL6617130 0.84 BCHE (0.54) MAPK1METAP2IDO1NPC1RAB9A
SCHEMBL6619870 0.84 BCHE (0.54) MAPK1METAP2IDO1NPC1RAB9A
SCHEMBL6617279 0.84 BCHE (0.54) MAPK1DYRK1ACSNK2A1IDO1NPC1
SCHEMBL8112788 0.84 CDC7 (0.50) MAPK1DYRK1ANOS1IDO1NPC1
SCHEMBL9052972 0.81 IDO1 (0.48) MAPK1METAP2IDO1CLK4

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-0779889-B1 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE AVENTIS PHARMA INC (US) 2004-06-23 EP disclosed
EP-0779889-A4 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE POULENC RORER PHARMA (US) 2000-02-23 EP disclosed
EP-0779889-A1 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-06-25 EP disclosed
WO-1996007658-A1 PYRAZOLO[3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-03-14 WO disclosed
US-5476851-A Administering as therapeutic agents for various disease states which are characterized by uncontrolled cellular proliferation RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1995-12-19 US disclosed