SCHEMBL30860292

SCHEMBL30860292

CN1CCN(C2CCN(c3cc(Cl)c(Nc4ncc(Br)c(Nc5cc6c(cc5NS(C)(=O)=O)CCO6)n4)cc3Br)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.49
▸ ALK Q9UM73 4/20 0.44
▸ INSR P06213 2/20 0.44
▸ IGF1R P08069 2/20 0.44
▸ MET P08581 1/20 0.42

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
SCHEMBL30860328 0.97 EGFR (0.50) EGFRALKINSRIGF1RMET
SCHEMBL30860260 0.96 EGFR (0.54) EGFRALKINSRIGF1RMET
SCHEMBL26906557 0.96 EGFR (0.53) EGFRALKINSRIGF1RMET
SCHEMBL26906604 0.95 EGFR (0.53) EGFRALKINSRIGF1RMET
SCHEMBL30860318 0.93 EGFR (0.52) EGFRALKINSRIGF1RMET
SCHEMBL30860404 0.93 EGFR (0.51) EGFRALKINSRIGF1R
SCHEMBL26906861 0.91 EGFR (0.56) EGFRALKINSRIGF1RMET
SCHEMBL29114963 0.90 EGFR (0.59) EGFRALKINSRIGF1RMET
SCHEMBL30860293 0.90 EGFR (0.60) EGFRALKINSRIGF1RMET
SCHEMBL26906904 0.90 EGFR (0.60) EGFRALKINSRIGF1RMET

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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