SCHEMBL7848154

SCHEMBL7848154

COc1cc2c(Oc3ccc4[nH]cc(C)c4c3)ncnc2cc1OC(C(=O)OC(C)(C)C)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.43
BRAF P15056 3/20 0.42
RAF1 P04049 1/20 0.41
AURKA O14965 2/20 0.40
MET P08581 2/20 0.40
TEK Q02763 2/20 0.40
AURKB Q96GD4 2/20 0.40
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
PDGFRA P16234 3/20 0.40
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39

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
SCHEMBL7847654 0.87 KDR (0.44) KDRBRAFRAF1AURKAMET
SCHEMBL664554 0.79 RAF1 (0.52) KDRRAF1RETKIF5BPDGFRA
SCHEMBL5912648 0.78 ENPP1 (0.43) KDRRAF1PDGFRAFLT1FLT4
SCHEMBL666523 0.77 RAF1 (0.48) KDRBRAFRAF1METPDGFRA
SCHEMBL7838003 0.76 KDR (0.39) KDRBRAFRAF1AURKAMET
SCHEMBL7848549 0.74 RAF1 (0.42) KDRBRAFRAF1AURKAMET
SCHEMBL4374175 0.73 KDR (0.53) KDRBRAFRAF1AURKAMET
SCHEMBL6366468 0.73 KDR (0.43) KDRAURKAMETTEKAURKB
SCHEMBL666747 0.73 RAF1 (0.46) KDRRAF1METPDGFRAFLT1
SCHEMBL666132 0.73 KDR (0.51) KDRMETTEKAURKBRET

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-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed