SCHEMBL7876949

SCHEMBL7876949

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.37
▸ PDGFRA P16234 4/20 0.37
▸ PDGFRB P09619 4/20 0.35
▸ FLT3 P36888 4/20 0.35
▸ CSF1R P07333 3/20 0.35
▸ FLT4 P35916 3/20 0.35
▸ KIT P10721 2/20 0.35
▸ RAF1 P04049 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ MET P08581 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ MAPK7 Q13164 1/20 0.34

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
SCHEMBL7885975 0.86 KDR (0.41) KDRPDGFRAPDGFRBFLT3CSF1R
SCHEMBL5566432 0.81 KDR (0.44) KDRPDGFRAPDGFRBFLT3CSF1R
SCHEMBL5566766 0.78 EGFR (0.43) KDRPDGFRBFLT4KITRAF1
SCHEMBL5565927 0.74 KDM1A (0.54) KDRPDGFRAPDGFRBFLT3CSF1R
SCHEMBL5566455 0.73 EGFR (0.53) KDRKITEGFR
SCHEMBL5561051 0.71 FLT4 (0.52) KDRPDGFRAPDGFRBFLT3CSF1R
SCHEMBL5566781 0.71 EGFR (0.50) KDRPDGFRBFLT3CSF1RFLT4
SCHEMBL5566618 0.70 KDR (0.61) KDRPDGFRAPDGFRBFLT3CSF1R
SCHEMBL7881690 0.70 EGFR (0.48) KDRFLT4EGFR
SCHEMBL7853443 0.69 KDM1A (0.44) KDRPDGFRAPDGFRBFLT3CSF1R

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-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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