SCHEMBL30860298

SCHEMBL30860298

CN1CCN(C2CCN(c3cc(Cl)c(Nc4ncc(Br)c(Nc5cc6c(cc5N(C)S(C)(=O)=O)OCO6)n4)cc3Cl)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.53
▸ MET P08581 1/20 0.52
▸ ALK Q9UM73 6/20 0.44
▸ INSR P06213 5/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ IGF1R P08069 4/20 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
SCHEMBL30860282 0.95 EGFR (0.51) EGFRMETALKINSRPTK2
SCHEMBL30860245 0.93 EGFR (0.58) EGFRMETALKINSRPTK2
SCHEMBL26906498 0.91 EGFR (0.51) EGFRMETALKINSRPTK2
SCHEMBL30860301 0.91 EGFR (0.54) EGFRMETALKINSRPTK2
SCHEMBL30860253 0.89 EGFR (0.58) EGFRMETALKINSRPTK2
SCHEMBL26906821 0.89 EGFR (0.57) EGFRMETALKINSRPTK2
SCHEMBL30860402 0.87 EGFR (0.51) EGFRMETALKINSRPTK2
SCHEMBL30860244 0.87 EGFR (0.66) EGFRMETALKINSRPTK2
SCHEMBL26906997 0.86 EGFR (0.51) EGFRMETALKINSRPTK2
SCHEMBL30860266 0.86 EGFR (0.60) EGFRMETALKINSRPTK2

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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