SCHEMBL6621982

SCHEMBL6621982

c1ccc(Sc2cnc3cc4[nH]ncc4cc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ DYRK1A Q13627 2/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ DYRK2 Q92630 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ PIK3CA P42336 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ IDO1 P14902 1/20 0.38

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
SCHEMBL6617837 1.00 HTT (0.56) HTTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL8110951 0.89 HPGD (0.45) HTTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL6615711 0.77 L3MBTL1 (0.39) RAB9ANPC1SMN1; SMN2DYRK1AFGFR1
SCHEMBL6616860 0.77 L3MBTL1 (0.39) RAB9ANPC1SMN1; SMN2DYRK1AFGFR1
SCHEMBL6616738 0.75 SMN1; SMN2 (0.58) HPGDRAB9ANPC1SMN1; SMN2DYRK1A
SCHEMBL30129312 0.73 HPGD (1.00) HTTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL6618464 0.72 ROCK2 (0.49) DYRK1AFGFR1DYRK3CLK1CLK2
SCHEMBL6619697 0.72 HTT (0.56) HTTHPGDRAB9ANPC1DYRK1A
SCHEMBL8112159 0.72 HTT (0.56) HTTHPGDRAB9ANPC1DYRK1A
SCHEMBL6617454 0.72 PDGFRB (0.61) RAB9ANPC1DYRK1AFGFR1DYRK3

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
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