SCHEMBL5566432

SCHEMBL5566432

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ PDGFRB P09619 4/20 0.43
▸ FLT4 P35916 3/20 0.43
▸ AURKA O14965 2/20 0.43
▸ TEK Q02763 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ FLT3 P36888 2/20 0.42
▸ CSF1R P07333 2/20 0.42
▸ ENPP1 P22413 2/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ LCK P06239 1/20 0.40

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
SCHEMBL5565927 0.87 KDM1A (0.54) KDRPDGFRAPDGFRBFLT4AURKA
SCHEMBL5566766 0.83 EGFR (0.43) KDRPDGFRBFLT4AURKATEK
SCHEMBL5566618 0.83 KDR (0.61) KDRPDGFRAPDGFRBFLT4AURKA
SCHEMBL7876949 0.81 KDR (0.37) KDRPDGFRAPDGFRBFLT4AURKA
SCHEMBL5560397 0.81 KDR (0.47) KDRPDGFRAPDGFRBFLT4AURKA
SCHEMBL5561051 0.80 FLT4 (0.52) KDRPDGFRAPDGFRBFLT4AURKA
SCHEMBL5565868 0.79 KDM1A (0.56) KDRPDGFRBFLT4FLT3CSF1R
Hydrochloric Acid SCHEMBL5566986 0.78 KDM1A (0.55) KDRPDGFRBFLT4FLT3CSF1R
SCHEMBL5566781 0.78 EGFR (0.50) KDRPDGFRBFLT4FLT3CSF1R
SCHEMBL5566455 0.77 EGFR (0.53) KDREGFR

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
US-7262201-B1 For the manufacture of a medicament for use in the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals ASTRAZENECA AB (SE) 2007-08-28 — — US disclosed
EP-1119567-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-04 — — EP disclosed
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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