SCHEMBL29114903

SCHEMBL29114903

COc1cc(N2CCC(N3CCCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2cc(Cl)ccc2NS(C)(=O)=O)n1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.66
▸ INSR P06213 2/20 0.57
▸ IGF1R P08069 2/20 0.57
▸ ALK Q9UM73 2/20 0.57

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
SCHEMBL26906680 0.94 EGFR (0.61) EGFRINSRIGF1RALK
SCHEMBL26906725 0.93 EGFR (0.56) EGFRINSRIGF1RALK
SCHEMBL26906674 0.91 EGFR (0.64) EGFRINSRIGF1RALK
SCHEMBL26906853 0.91 EGFR (0.71) EGFRINSRIGF1RALK
SCHEMBL26906530 0.91 EGFR (0.67) EGFRINSRIGF1RALK
SCHEMBL26906842 0.90 EGFR (0.62) EGFRALK
SCHEMBL26906534 0.90 EGFR (0.61) EGFRINSRIGF1RALK
SCHEMBL26906605 0.90 EGFR (0.56) EGFRINSRIGF1RALK
SCHEMBL26906514 0.90 EGFR (0.66) EGFRINSRIGF1RALK
SCHEMBL26906645 0.90 EGFR (0.66) EGFR

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
CN-117120424-A Pyrimidine derivatives having protein kinase inhibitory activity and therapeutic combinations comprising the same 泰拉佩克斯有限公司 2023-11-24 — — CN disclosed
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