SCHEMBL30860404

SCHEMBL30860404

CN1CCCN(C2CCN(c3cc(Cl)c(Nc4ncc(Br)c(Nc5cc6c(cc5NS(C)(=O)=O)CCO6)n4)cc3Cl)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.51
▸ INSR P06213 3/20 0.42
▸ IGF1R P08069 3/20 0.42
▸ ALK Q9UM73 3/20 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
SCHEMBL26906557 0.97 EGFR (0.53) EGFRINSRIGF1RALK
SCHEMBL30860328 0.96 EGFR (0.50) EGFRINSRIGF1RALK
SCHEMBL30860367 0.94 EGFR (0.57) EGFRINSRIGF1RALK
SCHEMBL26906768 0.94 EGFR (0.58) EGFRINSRIGF1RALK
SCHEMBL30860292 0.93 EGFR (0.49) EGFRINSRIGF1RALK
SCHEMBL30860318 0.92 EGFR (0.52) EGFRINSRIGF1RALK
SCHEMBL26906604 0.92 EGFR (0.53) EGFRINSRIGF1RALK
SCHEMBL30860293 0.91 EGFR (0.60) EGFRINSRIGF1RALK
SCHEMBL26906904 0.91 EGFR (0.60) EGFRINSRIGF1RALK
SCHEMBL26906589 0.91 EGFR (0.55) EGFRINSRIGF1RALK

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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