SCHEMBL7885975

SCHEMBL7885975

COc1ccc(-c2cc(Oc3ncnc4cc(OC(C)C5CCNCC5)c(OC)cc34)n[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.41
▸ PDGFRA P16234 3/20 0.41
▸ EGFR P00533 3/20 0.39
▸ LCK P06239 2/20 0.39
▸ CSF1R P07333 2/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ KIT P10721 2/20 0.38
▸ RET P07949 1/20 0.38
▸ KIF5B P33176 1/20 0.38
▸ TRPA1 O75762 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ MET P08581 1/20 0.37
▸ TEK Q02763 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ IRAK1 P51617 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL7876949 0.86 KDR (0.37) KDRPDGFRAEGFRCSF1RPDGFRB
SCHEMBL7881690 0.83 EGFR (0.48) KDREGFRLCKFLT4RET
SCHEMBL5565927 0.79 KDM1A (0.54) KDRPDGFRAEGFRLCKCSF1R
SCHEMBL5566455 0.78 EGFR (0.53) KDREGFRKIT
SCHEMBL7846902 0.77 KDR (0.45) KDRPDGFRAEGFRLCKKIT
SCHEMBL5566781 0.77 EGFR (0.50) KDREGFRLCKCSF1RPDGFRB
SCHEMBL7847135 0.76 KDR (0.45) KDRPDGFRAEGFRLCKCSF1R
SCHEMBL7883378 0.76 EGFR (0.48) KDREGFRFLT4RET
SCHEMBL5561051 0.76 FLT4 (0.52) KDRPDGFRAEGFRLCKCSF1R
SCHEMBL6366468 0.76 KDR (0.43) KDRPDGFRAEGFRLCKCSF1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 — — EP claimed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 — — WO claimed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 — — EP disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 — — WO disclosed
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