SCHEMBL8801747

SCHEMBL8801747

COc1ccc(-c2cnc3c(OC)c(OC)ccc3c2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 9/20 0.63
PDGFRA P16234 9/20 0.63
IDO1 P14902 3/20 0.47
TDO2 P48775 3/20 0.47
GAK O14976 2/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP17A1 P05093 1/20 0.44
KIT P10721 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL8802604 0.85 PDGFRB (0.61) PDGFRBPDGFRAIDO1TDO2GAK
SCHEMBL8801571 0.83 PDGFRB (0.58) PDGFRBPDGFRAIDO1TDO2GAK
SCHEMBL8501649 0.79 PDGFRB (0.77) PDGFRBPDGFRAGAK
SCHEMBL8502613 0.77 PDGFRB (1.00) PDGFRBPDGFRA
SCHEMBL12074128 0.77 BRD4 (0.48) PDGFRBPDGFRAGAKKIT
SCHEMBL8801931 0.77 PDGFRB (0.61) PDGFRBPDGFRAGAKNPC1
SCHEMBL9464193 0.74 CYP17A1 (0.61) PDGFRBPDGFRAMEN1NPC1ALDH1A1
SCHEMBL28421266 0.74 BRD4 (0.61) GAKKIT
SCHEMBL12074863 0.74 GAK (0.48) PDGFRBPDGFRAIDO1TDO2GAK
SCHEMBL2855768 0.73 PDGFRB (0.60) PDGFRBPDGFRAMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584222-B1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE POULENC RORER INT (US) 1997-10-08 EP claimed