SCHEMBL30108159

SCHEMBL30108159

C=C/C=C\C(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CCN(C(=O)[C@H](C)N)CC1

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.89
IGF1R P08069 6/20 0.72
KCNH2 Q12809 4/20 0.72
INSR P06213 3/20 0.66
CDK2 P24941 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
SCHEMBL28963870 1.00 EGFR (0.89) EGFRIGF1RKCNH2INSRCDK2
SCHEMBL28963871 1.00 EGFR (0.89) EGFRIGF1RKCNH2INSRCDK2
SCHEMBL28460789 1.00 EGFR (0.89) EGFRIGF1RKCNH2INSRCDK2
SCHEMBL14719279 0.94 EGFR (1.00) EGFRIGF1RKCNH2INSR
SCHEMBL14719280 0.94 EGFR (1.00) EGFRIGF1RKCNH2INSR
SCHEMBL28468896 0.91 EGFR (0.88) EGFRIGF1RKCNH2INSR
SCHEMBL28942069 0.91 EGFR (0.88) EGFRIGF1RKCNH2INSR
SCHEMBL29232099 0.89 EGFR (0.89) EGFRIGF1RKCNH2INSR
SCHEMBL28942031 0.87 EGFR (0.72) EGFRIGF1RKCNH2INSR
SCHEMBL28467332 0.87 EGFR (0.72) 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