SCHEMBL30237488

SCHEMBL30237488

O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1F

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.63
FBP1 P09467 2/20 0.60
ERBB2 P04626 2/20 0.60
AURKA O14965 1/20 0.60
INSR P06213 1/20 0.60
PDGFRB P09619 1/20 0.60
FLT4 P35916 1/20 0.60
KDR P35968 1/20 0.60
CLK1 P49759 1/20 0.60
EPHB4 P54760 1/20 0.60
TEK Q02763 1/20 0.60
AURKB Q96GD4 1/20 0.60
GRM1 Q13255 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
SCHEMBL25241 1.00 EGFR (0.63) EGFRFBP1ERBB2AURKAINSR
SCHEMBL29615011 1.00 EGFR (0.63) EGFRFBP1ERBB2AURKAINSR
Hydrochloric Acid SCHEMBL4780920 0.99 EGFR (0.62) EGFRFBP1ERBB2AURKAINSR
SCHEMBL1366535 0.93 EGFR (0.68) EGFRFBP1ERBB2AURKAINSR
SCHEMBL30294136 0.93 EGFR (0.68) EGFRFBP1ERBB2AURKAINSR
Hydrochloric Acid SCHEMBL8314953 0.92 EGFR (0.67) EGFRFBP1ERBB2AURKAINSR
SCHEMBL28413582 0.91 EGFR (0.59) EGFRFBP1ERBB2AURKAINSR
SCHEMBL3246075 0.90 EGFR (0.61) EGFRFBP1ERBB2AURKAINSR
SCHEMBL18862887 0.90 EGFR (0.60) EGFRFBP1ERBB2AURKAINSR
SCHEMBL5097627 0.90 EGFR (0.61) EGFRFBP1ERBB2AURKAINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058445-A Method for generating aryl phenol compound by hydroxylation of uranium photocatalytic aryl fluorine compound and application of method 华东师范大学 2025-05-30 CN disclosed
CN-118063399-A Method for synthesizing N- (3-chloro-4-fluorophenyl) -6-hydroxy-7-methoxy-4-quinazolinamine 杭州微流汇科技有限公司 2024-05-24 CN disclosed
CN-115703817-A Bifunctional molecule for targeted degradation of EGFR mutant and preparation method and application thereof 中国药科大学 2023-02-17 CN disclosed