SCHEMBL8438071

SCHEMBL8438071

COc1cc2nc(N(Cl)c3ccc(F)cc3)ncc2cc1OCCCC1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.38
▸ EPHA2 P29317 3/20 0.38
▸ EPHB4 P54760 2/20 0.38
▸ TLR7 Q9NYK1 3/20 0.37
▸ TLR9 Q9NR96 2/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.35
▸ EHMT1 Q9H9B1 1/20 0.35
▸ CHEK1 O14757 2/20 0.34
▸ CHEK2 O96017 2/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32

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 0.95 EPHA2 (0.42) KDREPHA2EPHB4TLR7TLR9
SCHEMBL8444662 0.92 EPHA2 (0.44) KDREPHA2EPHB4TLR7TLR9
SCHEMBL28962458 0.86 EPHA2 (0.45) KDREPHA2EPHB4CHEK1CHEK2
SCHEMBL6269488 0.83 EGFR (0.42) TLR7TLR9PDGFRBPDGFRAKDM4E
SCHEMBL3727488 0.82 EGFR (0.49) KDREPHB4TLR7TLR9EHMT2
SCHEMBL6266311 0.81 EGFR (0.44) KDRTLR7TLR9PDGFRBPDGFRA
SCHEMBL6266570 0.81 EGFR (0.46) KDREPHA2EPHB4EHMT2EHMT1
SCHEMBL6268116 0.81 EHMT2 (0.57) TLR7TLR9EHMT2EHMT1
SCHEMBL5618725 0.80 EHMT2 (0.51) KDREPHA2EPHB4TLR7TLR9
SCHEMBL8444635 0.79 EPHA2 (0.36) KDREPHA2EPHB4PDGFRBPDGFRA

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 claimed
WO-1997038994-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 — — WO claimed
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