SCHEMBL6615711

SCHEMBL6615711

c1ccc(SCc2cnc3cc4[nH]ncc4cc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CDK5R1 Q15078 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
SCHEMBL6616860 1.00 L3MBTL1 (0.39) L3MBTL1POLBCTDSP1NPC1CYP1A2
SCHEMBL8117078 0.90 MKNK1 (0.38) L3MBTL1POLBCTDSP1NPC1CYP1A2
SCHEMBL6618464 0.80 ROCK2 (0.49) FGFR1DYRK3CLK1CLK2CLK3
SCHEMBL6618856 0.80 ROCK2 (0.49) FGFR1DYRK3CLK1CLK2CLK3
SCHEMBL6617033 0.79 ROCK2 (0.49) FGFR1DYRK3CLK1CLK2CLK3
SCHEMBL6615880 0.79 CYSLTR1 (0.46) NPC1RAB9ASMN1; SMN2FGFR1DYRK3
SCHEMBL6616216 0.79 CYSLTR1 (0.46) NPC1RAB9ASMN1; SMN2FGFR1DYRK3
SCHEMBL6617440 0.79 ROCK2 (0.49) FGFR1DYRK3CLK1CLK2CLK3
SCHEMBL6621982 0.77 HTT (0.56) NPC1RAB9ASMN1; SMN2FGFR1DYRK3
SCHEMBL6617837 0.77 HTT (0.56) NPC1RAB9ASMN1; SMN2FGFR1DYRK3

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 2 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
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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