SCHEMBL30860281

SCHEMBL30860281

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(N(C)c2cc3c(cc2N(C)S(C)(=O)=O)CCO3)n1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.51
▸ MET P08581 1/20 0.45
▸ BTK Q06187 1/20 0.41
▸ INSR P06213 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ ALK Q9UM73 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
SCHEMBL30860746 0.91 EGFR (0.54) EGFRMETBTK
SCHEMBL30860258 0.90 EGFR (0.54) EGFRMETBTKINSRIGF1R
SCHEMBL30860356 0.90 EGFR (0.52) EGFRMETINSRIGF1RALK
SCHEMBL30860759 0.87 EGFR (0.56) EGFRMETBTK
SCHEMBL30860346 0.86 EGFR (0.64) EGFRMETBTKINSRIGF1R
SCHEMBL30860740 0.86 EGFR (0.54) EGFRMETBTKINSRIGF1R
SCHEMBL30860273 0.85 EGFR (0.53) EGFRMETBTK
SCHEMBL30860277 0.85 EGFR (0.51) EGFRMETBTKINSRIGF1R
SCHEMBL30860290 0.85 EGFR (0.53) EGFRMETBTKINSRIGF1R
SCHEMBL25001448 0.85 EGFR (0.58) EGFRMETBTKINSRIGF1R

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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