SCHEMBL6486338

SCHEMBL6486338

O=C(CCCOc1ccc2c(OCNc3ccc(Cl)cc3F)ncnc2c1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
RAB9A P51151 3/20 0.45
KDR P35968 9/20 0.44
FGFR1 P11362 5/20 0.44
FLT1 P17948 5/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
PDE2A O00408 1/20 0.44
P2RY12 Q9H244 1/20 0.44
EGFR P00533 4/20 0.43
BRAF P15056 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FLT4 P35916 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6529811 0.94 HPGD (0.49) USP2RAB9AKDRFGFR1FLT1
SCHEMBL6519234 0.81 FLT1 (0.55) KDRFGFR1FLT1EGFRFLT4
SCHEMBL6477340 0.79 KDR (0.55) KDRFGFR1FLT1EGFRFLT4
SCHEMBL1888746 0.78 KDR (0.55) KDRFGFR1FLT1EGFRFLT4
SCHEMBL6486350 0.77 USP2 (0.50) USP2RAB9AKDRFGFR1FLT1
Hydrochloric Acid SCHEMBL6896031 0.77 KDR (0.52) KDRFGFR1FLT1EGFRBRAF
Hydrochloric Acid SCHEMBL6517806 0.77 FLT1 (0.50) KDRFGFR1FLT1EGFRFLT4
Hydrochloric Acid SCHEMBL6477886 0.76 EGFR (0.53) KDRFGFR1FLT1EGFRBRAF
SCHEMBL7736056 0.76 KDR (0.67) KDRFGFR1FLT1EGFRFLT4
SCHEMBL1467152 0.74 KDR (0.76) 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
US-6897210-B2 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 2005-05-24 US disclosed