SCHEMBL6477341

SCHEMBL6477341

COc1nc(Nc2ccc(Cl)cc2F)c2ccc(OCCBr)cc2n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.61
FLT1 P17948 16/20 0.61
FGFR1 P11362 13/20 0.61
FLT4 P35916 7/20 0.46
EPHB2 P29323 1/20 0.46
EGFR P00533 6/20 0.45
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 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
SCHEMBL7736062 0.89 KDR (0.69) KDRFLT1FGFR1FLT4EPHB2
Hydrochloric Acid SCHEMBL6896039 0.85 KDR (0.55) KDRFLT1FGFR1FLT4EPHB2
SCHEMBL6517819 0.85 KDR (0.54) KDRFLT1FGFR1FLT4EPHB2
SCHEMBL6519244 0.85 KDR (0.59) KDRFLT1FGFR1FLT4EGFR
Hydrochloric Acid SCHEMBL6485313 0.83 KDR (0.51) KDRFLT1FGFR1FLT4EPHB2
Hydrochloric Acid SCHEMBL7460941 0.82 KDR (0.52) KDRFLT1FGFR1FLT4EPHB2
Hydrochloric Acid SCHEMBL6517812 0.82 KDR (0.54) KDRFLT1FGFR1FLT4EGFR
SCHEMBL6487092 0.81 KDR (0.51) KDRFLT1FGFR1FLT4EPHB2
SCHEMBL7460558 0.81 KDR (0.50) KDRFLT1FGFR1FLT4EPHB2
SCHEMBL1886550 0.80 KDR (0.49) KDRFLT1FGFR1FLT4EPHB2

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