SCHEMBL29975141

SCHEMBL29975141

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CC[C@@H](N(C)C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
IGF1R P08069 4/20 1.00
KCNH2 Q12809 4/20 1.00
INSR P06213 3/20 1.00

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
SCHEMBL14719159 1.00 EGFR (1.00) EGFRIGF1RKCNH2INSR
SCHEMBL14719220 1.00 EGFR (1.00) EGFRIGF1RKCNH2INSR
SCHEMBL17373106 1.00 EGFR (1.00) EGFRIGF1RKCNH2INSR
SCHEMBL19493247 0.96 EGFR (0.92) EGFRIGF1RKCNH2INSR
SCHEMBL16668610 0.95 EGFR (1.00) EGFRIGF1RKCNH2INSR
SCHEMBL28942022 0.94 EGFR (0.88) EGFRIGF1RKCNH2INSR
SCHEMBL28942107 0.94 EGFR (0.88) EGFRIGF1RKCNH2INSR
SCHEMBL28464059 0.94 EGFR (0.88) EGFRIGF1RKCNH2INSR
SCHEMBL28460779 0.94 EGFR (0.88) EGFRIGF1RKCNH2INSR
SCHEMBL14718869 0.91 EGFR (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4086246-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS AS EGFR MODULATORS AstraZeneca AB (SE) 2022-11-09 EP disclosed