SCHEMBL30860310

SCHEMBL30860310

COc1cc(N2CCC(N3CCOCC3)CC2)c(Br)cc1Nc1ncc(Cl)c(Nc2cc3c(cc2NS(C)(=O)=O)CCO3)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.54
▸ LRRK2 Q5S007 1/20 0.52
▸ ALK Q9UM73 6/20 0.52
▸ INSR P06213 2/20 0.50
▸ IGF1R P08069 2/20 0.50

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
SCHEMBL26906555 0.95 EGFR (0.61) EGFRLRRK2ALKINSRIGF1R
SCHEMBL30860343 0.95 EGFR (0.61) EGFRLRRK2ALKINSRIGF1R
SCHEMBL30860311 0.94 EGFR (0.55) EGFRALK
SCHEMBL30860297 0.94 EGFR (0.60) EGFRALKINSRIGF1R
SCHEMBL26907010 0.92 EGFR (0.58) EGFRALKINSRIGF1R
SCHEMBL29904625 0.90 EGFR (0.53) EGFRLRRK2ALK
SCHEMBL26906752 0.90 EGFR (0.53) EGFRLRRK2ALK
SCHEMBL30659887 0.89 EGFR (0.51) EGFRLRRK2
SCHEMBL26906679 0.89 EGFR (0.51) EGFRLRRK2
SCHEMBL30860373 0.89 EGFR (0.63) EGFRLRRK2ALKINSRIGF1R

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
WO-2024072075-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2024-04-04 — — WO claimed
WO-2024072075-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2024-04-04 — — WO disclosed
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