SCHEMBL30860387

SCHEMBL30860387

CN(C)C1CCCN(C2CCN(c3cc(Cl)c(Nc4ncc(Cl)c(Nc5cc6c(cc5NS(C)(=O)=O)CCO6)n4)cc3Cl)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.47
▸ MET P08581 1/20 0.40
▸ ZAP70 P43403 1/20 0.40
▸ ALK Q9UM73 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39

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
SCHEMBL26906966 0.95 EGFR (0.46) EGFRALK
SCHEMBL30860331 0.94 EGFR (0.47) EGFRMET
SCHEMBL26906748 0.94 EGFR (0.52) EGFRMETZAP70LRRK2
SCHEMBL26906882 0.91 EGFR (0.49) EGFRALK
SCHEMBL30860332 0.90 EGFR (0.49) EGFRALK
SCHEMBL26906665 0.90 EGFR (0.53) EGFRMET
SCHEMBL26906576 0.89 EGFR (0.54) EGFRALK
SCHEMBL30659887 0.88 EGFR (0.51) EGFRLRRK2
SCHEMBL26906679 0.88 EGFR (0.51) EGFRLRRK2
SCHEMBL26906596 0.88 EGFR (0.55) EGFRMET

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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