SCHEMBL30860320

SCHEMBL30860320

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cc3c(cc2NS(C)(=O)=O)OCO3)n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.58
▸ BTK Q06187 1/20 0.46
▸ PLK1 P53350 1/20 0.45

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
SCHEMBL30860340 0.93 EGFR (0.56) EGFRBTK
SCHEMBL27091519 0.90 EGFR (0.67) EGFRBTK
SCHEMBL30860424 0.90 EGFR (0.56) EGFRBTKPLK1
SCHEMBL30860448 0.89 EGFR (0.62) EGFRBTK
SCHEMBL30860270 0.88 EGFR (0.58) EGFR
SCHEMBL30860759 0.86 EGFR (0.56) EGFRBTK
SCHEMBL27091391 0.85 EGFR (0.75) EGFRBTK
SCHEMBL29785248 0.85 EGFR (0.63) EGFR
SCHEMBL27091514 0.85 EGFR (0.63) EGFR
SCHEMBL29084096 0.84 EGFR (0.71) EGFRBTKPLK1

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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