SCHEMBL18633019

SCHEMBL18633019

CC1CCCC1COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.58
EGFR P00533 17/20 0.57
KDR P35968 3/20 0.57
EPHB4 P54760 3/20 0.57
ERBB2 P04626 2/20 0.57
AURKA O14965 1/20 0.57
INSR P06213 1/20 0.57
PDGFRB P09619 1/20 0.57
FLT4 P35916 1/20 0.57
CLK1 P49759 1/20 0.57
TEK Q02763 1/20 0.57
AURKB Q96GD4 1/20 0.57
EPHA2 P29317 2/20 0.54
ERBB4 Q15303 1/20 0.51

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
SCHEMBL1417760 0.88 EGFR (0.66) FBP1EGFRKDREPHB4ERBB2
SCHEMBL255884 0.87 FBP1 (0.58) FBP1EGFRKDREPHB4ERBB2
SCHEMBL1418424 0.87 EGFR (0.66) FBP1EGFRKDREPHB4ERBB2
SCHEMBL18633000 0.86 EGFR (0.59) FBP1EGFRKDREPHB4ERBB2
SCHEMBL1190546 0.86 EGFR (0.68) FBP1EGFRKDREPHB4ERBB2
SCHEMBL18633122 0.86 FBP1 (0.54) FBP1EGFRKDREPHB4ERBB2
SCHEMBL1418776 0.86 KDR (0.66) FBP1EGFRKDREPHB4ERBB2
SCHEMBL18632990 0.83 EGFR (0.56) FBP1EGFRKDREPHB4ERBB2
SCHEMBL1191334 0.83 EGFR (0.70) FBP1EGFRKDREPHB4ERBB2
SCHEMBL1191324 0.83 EGFR (0.70) FBP1EGFRKDREPHB4ERBB2

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-2612860-B1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-03-15 EP disclosed