SCHEMBL28942091

SCHEMBL28942091

C=C/C=C\C(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N1CC[C@@H](N(C)C)C1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.69
IGF1R P08069 4/20 0.69
KCNH2 Q12809 4/20 0.69
INSR P06213 2/20 0.69

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
SCHEMBL28471867 1.00 EGFR (0.69) EGFRIGF1RKCNH2INSR
SCHEMBL28942052 0.95 EGFR (0.67) EGFRIGF1RKCNH2INSR
SCHEMBL28467428 0.95 EGFR (0.67) EGFRIGF1RKCNH2INSR
SCHEMBL14719359 0.94 EGFR (0.78) EGFRIGF1RKCNH2INSR
SCHEMBL28942027 0.93 EGFR (0.60) EGFRIGF1RKCNH2INSR
SCHEMBL28942080 0.91 EGFR (0.61) EGFRIGF1RKCNH2INSR
SCHEMBL28942019 0.90 EGFR (0.68) EGFRIGF1RKCNH2INSR
SCHEMBL14719556 0.89 EGFR (0.77) EGFRIGF1RKCNH2INSR
SCHEMBL28942042 0.89 EGFR (0.69) EGFRIGF1RKCNH2INSR
SCHEMBL28469195 0.89 EGFR (0.69) EGFRIGF1RKCNH2INSR

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-115650974-B N- [5- (pyrimidine-2-amino) -2, 4-disubstituted phenyl ] -cis-pentadiene amide derivative and application thereof 天津大学 2024-06-18 CN disclosed
CN-115650974-A N- [5- (pyrimidine-2-amino) -2,4-disubstituted phenyl ] -cis-pentadiene amide derivative and application thereof 天津大学 2023-01-31 CN disclosed