SCHEMBL5757192

SCHEMBL5757192

COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC(O)CN1CCN(C)CC1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.77
FGFR1 P11362 16/20 0.77
FLT1 P17948 16/20 0.77
EGFR P00533 14/20 0.77
FLT4 P35916 13/20 0.77
EPHB2 P29323 1/20 0.65
EPHA2 P29317 1/20 0.61
EPHB4 P54760 1/20 0.61
AURKA O14965 1/20 0.60
PDGFRB P09619 1/20 0.60
TEK Q02763 1/20 0.60
AURKB Q96GD4 1/20 0.60

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
SCHEMBL14564687 1.00 KDR (0.77) KDRFGFR1FLT1EGFRFLT4
SCHEMBL5754345 0.94 FLT1 (0.69) KDRFGFR1FLT1EGFRFLT4
SCHEMBL5755914 0.94 FLT1 (0.75) KDRFGFR1FLT1EGFRFLT4
SCHEMBL5456122 0.94 FLT1 (0.72) KDRFGFR1FLT1EGFRFLT4
SCHEMBL14564686 0.94 FLT1 (0.75) KDRFGFR1FLT1EGFRFLT4
Hydrochloric Acid SCHEMBL5446837 0.93 FLT1 (0.71) KDRFGFR1FLT1EGFRFLT4
SCHEMBL5450340 0.93 FLT1 (0.73) KDRFGFR1FLT1EGFRFLT4
SCHEMBL5465089 0.93 FLT1 (0.73) KDRFGFR1FLT1EGFRFLT4
SCHEMBL5458850 0.92 EGFR (0.78) KDRFGFR1FLT1EGFRFLT4
SCHEMBL5460598 0.92 KDR (0.70) KDRFGFR1FLT1EGFRFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274692-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2006-08-02 EP claimed