SCHEMBL28699733

SCHEMBL28699733

FC(F)(F)c1ccc(OCCNc2ncnc3ccccc23)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.56
▸ HTT P42858 6/20 0.48
▸ EGFR P00533 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ APP P05067 2/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ GAA P10253 3/20 0.46
▸ ALPG P10696 1/20 0.46
▸ S1PR2 O95136 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45

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
SCHEMBL28696736 0.97 LDHA (0.52) LDHAHTTEGFRLMNAMAPK1
SCHEMBL15684803 0.82 HTT (0.56) LDHAHTTEGFRLMNAMAPK1
SCHEMBL28693417 0.81 EGFR (0.62) HTTEGFRLMNAMAPK1ABCG2
SCHEMBL28693632 0.80 LDHA (0.52) LDHAHTTEGFRLMNAMAPK1
SCHEMBL28674109 0.80 LDHA (0.57) LDHAHTTEGFRLMNAMAPK1
SCHEMBL11242436 0.80 LDHA (0.60) LDHAHTTEGFRLMNAMAPK1
SCHEMBL17085334 0.79 EGFR (0.58) HTTEGFRLMNAMAPK1APP
SCHEMBL11250238 0.79 EGFR (0.58) LDHAHTTEGFRLMNAMAPK1
SCHEMBL28691836 0.79 GALR3 (0.45) LDHAHTTEGFRABCG2SMN1; SMN2
SCHEMBL15684901 0.78 EGFR (0.53) LDHAHTTEGFRLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754636-B Quinazoline-containing aza-ether compounds 湖南化工研究院有限公司 2022-10-04 — — CN claimed
CN-113754636-A Quinazoline-containing aza-ether compounds 湖南化工研究院有限公司 2021-12-07 — — CN claimed
Send feedback