SCHEMBL30659887

SCHEMBL30659887

COc1cc(N2CCC(N3CCCC(N(C)C)C3)CC2)c(Br)cc1Nc1ncc(Cl)c(Nc2cc3c(cc2NS(C)(=O)=O)CCO3)n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.51
▸ LRRK2 Q5S007 1/20 0.44

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
SCHEMBL26906679 1.00 EGFR (0.51) EGFRLRRK2
SCHEMBL29904625 0.96 EGFR (0.53) EGFRLRRK2
SCHEMBL26906752 0.96 EGFR (0.53) EGFRLRRK2
SCHEMBL26906748 0.95 EGFR (0.52) EGFRLRRK2
SCHEMBL26906831 0.95 EGFR (0.57) EGFR
SCHEMBL26906576 0.94 EGFR (0.54) EGFR
SCHEMBL26906596 0.93 EGFR (0.55) EGFR
SCHEMBL26906833 0.90 EGFR (0.63) EGFR
SCHEMBL26906747 0.90 EGFR (0.57) EGFR
SCHEMBL26907010 0.89 EGFR (0.58) 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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