SCHEMBL6616291

SCHEMBL6616291

COc1ccc(-c2cnc3cc4cnn(Cc5cccnc5)c4cc3n2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 17/20 0.52
GRIN1 Q05586 14/20 0.52
BRD4 O60885 1/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6621734 0.92 GRIN2B (0.45) GRIN2BGRIN1BRD4PDGFRBPDGFRA
SCHEMBL6615232 0.91 ALDH1A1 (0.46) GRIN2BGRIN1BRD4PDGFRBPDGFRA
SCHEMBL6619419 0.84 PDGFRB (0.47) GRIN2BBRD4PDGFRBPDGFRAKDM4E
SCHEMBL6615147 0.82 KDM4E (0.42) GRIN2BGRIN1PDGFRBPDGFRAKDM4E
SCHEMBL9053527 0.82 BRD4 (0.41) GRIN2BGRIN1BRD4PDGFRBPDGFRA
SCHEMBL6621978 0.81 PDGFRB (0.45) GRIN2BBRD4PDGFRBPDGFRAKDM4E
Dimethylamine SCHEMBL6616891 0.81 PDGFRB (0.45) GRIN2BBRD4PDGFRBPDGFRAKDM4E
SCHEMBL6620040 0.81 PDGFRB (0.50) GRIN2BPDGFRBPDGFRAKDM4ENPC1
SCHEMBL6621864 0.81 PDGFRB (0.44) GRIN2BBRD4PDGFRBPDGFRAKDM4E
SCHEMBL6618297 0.81 PDGFRB (0.44) GRIN2BBRD4PDGFRBPDGFRAKDM4E

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