SCHEMBL6617606

SCHEMBL6617606

COc1ccc(-c2cnc3cc4[nH]ncc4cc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ GLA P06280 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ TNIK Q9UKE5 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ SYK P43405 1/20 0.42

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
SCHEMBL6618338 1.00 MAPK1 (0.51) MAPK1ALDH1A1MAPTGLAGAA
SCHEMBL8112499 1.00 MAPK1 (0.51) MAPK1ALDH1A1MAPTGLAGAA
SCHEMBL6622035 0.88 GAA (0.44) MAPK1ALDH1A1MAPTGLAGAA
SCHEMBL6618516 0.88 GAA (0.44) MAPK1ALDH1A1MAPTGLAGAA
SCHEMBL6616674 0.86 FGFR1 (0.48) MAPK1ALDH1A1MAPTGLAGAA
SCHEMBL6620076 0.86 FGFR1 (0.48) MAPK1ALDH1A1MAPTGLAGAA
SCHEMBL6618612 0.85 MAPK1 (0.49) MAPK1ALDH1A1MAPTGLAGAA
SCHEMBL6621230 0.85 MAPK1 (0.49) MAPK1ALDH1A1MAPTGLAGAA
SCHEMBL6618374 0.85 MAP3K11 (0.55) MAPK1ALDH1A1MAPTGLAGAA
SCHEMBL6618763 0.85 MAP3K11 (0.55) MAPK1ALDH1A1MAPTGLAGAA

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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