SCHEMBL18013033

SCHEMBL18013033

Oc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCOC(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.69
FBP1 P09467 2/20 0.59
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
MAPK1 P28482 2/20 0.58
MEN1 O00255 1/20 0.58
GMNN O75496 1/20 0.58
ALDH1A1 P00352 1/20 0.58
ABL1 P00519 1/20 0.58
LMNA P02545 1/20 0.58
RAF1 P04049 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
GLA P06280 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
SRC P12931 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58

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
SCHEMBL18012882 0.92 FBP1 (0.69) EGFRFBP1KDM4EMAPTMAPK1
SCHEMBL18012089 0.87 EGFR (0.75) EGFRFBP1KDM4EMAPTMAPK1
SCHEMBL18012883 0.87 EGFR (0.71) EGFRFBP1HDAC3KDRHDAC4
SCHEMBL18013032 0.86 EGFR (0.66) EGFRFBP1MAPTALDH1A1ABL1
SCHEMBL18012880 0.83 ERBB2 (0.55) EGFRCYP2D6KDR
SCHEMBL18013052 0.81 KDR (0.52) EGFRKDRFGFR1FLT1
SCHEMBL18013034 0.81 EGFR (0.59) EGFRFBP1MAPTABL1SRC
SCHEMBL5845413 0.79 EGFR (0.72) EGFRFBP1KDM4EMAPTMAPK1
SCHEMBL18012884 0.79 EGFR (0.53) EGFRABL1SRCABL2LCK
SCHEMBL18012075 0.79 FBP1 (0.72) EGFRFBP1KDR

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
WO-2016123706-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 WO disclosed