SCHEMBL30860424

SCHEMBL30860424

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cc3c(cc2N(C)S(C)(=O)=O)OCO3)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.56
▸ MET P08581 1/20 0.50
▸ PLK1 P53350 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ INSR P06213 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ ALK Q9UM73 1/20 0.43

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
SCHEMBL30860759 0.96 EGFR (0.56) EGFRMETBTK
SCHEMBL30860330 0.93 EGFR (0.66) EGFRMETPLK1BTKINSR
SCHEMBL30860746 0.92 EGFR (0.54) EGFRMETPLK1BTK
SCHEMBL25001448 0.92 EGFR (0.58) EGFRMETPLK1BTKINSR
SCHEMBL30860320 0.90 EGFR (0.58) EGFRPLK1BTK
SCHEMBL30860266 0.89 EGFR (0.60) EGFRMETBTKINSRIGF1R
SCHEMBL30860245 0.89 EGFR (0.58) EGFRMETINSRIGF1RALK
SCHEMBL30860338 0.89 EGFR (0.61) EGFRMET
SCHEMBL30860400 0.88 EGFR (0.54) EGFRMETPLK1INSRIGF1R
SCHEMBL30860273 0.87 EGFR (0.53) EGFRMETBTK

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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