SCHEMBL8444662

SCHEMBL8444662

COc1cc2nc(N(Cl)c3ccc(F)cc3)ncc2cc1OCCC1OCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.44
▸ KDR P35968 2/20 0.44
▸ EPHB4 P54760 2/20 0.44
▸ TLR7 Q9NYK1 3/20 0.36
▸ TLR9 Q9NR96 2/20 0.36
▸ PDGFRB P09619 2/20 0.35
▸ PDGFRA P16234 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ EHMT1 Q9H9B1 1/20 0.34
▸ CHEK1 O14757 2/20 0.34
▸ CHEK2 O96017 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ IGF1R P08069 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ DRD2 P14416 1/20 0.31

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
SCHEMBL8436900 0.96 EPHA2 (0.42) EPHA2KDREPHB4TLR7TLR9
SCHEMBL8438071 0.92 KDR (0.38) EPHA2KDREPHB4TLR7TLR9
SCHEMBL28962458 0.81 EPHA2 (0.45) EPHA2KDREPHB4CHEK1CHEK2
SCHEMBL5618725 0.81 EHMT2 (0.51) EPHA2KDREPHB4TLR7TLR9
SCHEMBL6266570 0.80 EGFR (0.46) EPHA2KDREPHB4EHMT2EHMT1
SCHEMBL6269488 0.80 EGFR (0.42) TLR7TLR9PDGFRBPDGFRAKDM4E
SCHEMBL6268116 0.80 EHMT2 (0.57) TLR7TLR9EHMT2EHMT1
SCHEMBL3727488 0.80 EGFR (0.49) KDREPHB4TLR7TLR9EHMT2
SCHEMBL6266311 0.79 EGFR (0.44) KDRTLR7TLR9PDGFRBPDGFRA
SCHEMBL8444635 0.79 EPHA2 (0.36) EPHA2KDREPHB4PDGFRBPDGFRA

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-0892799-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1999-01-27 — — EP disclosed
WO-1997038994-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 — — WO disclosed
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