SCHEMBL30860400

SCHEMBL30860400

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2cc3scnc3cc2N(C)S(C)(=O)=O)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.54
▸ MET P08581 1/20 0.48
▸ PLK1 P53350 1/20 0.45
▸ ALK Q9UM73 2/20 0.43
▸ INSR P06213 1/20 0.42
▸ IGF1R P08069 1/20 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
SCHEMBL30860333 0.90 EGFR (0.59) EGFRMETALKINSRIGF1R
SCHEMBL25001448 0.90 EGFR (0.58) EGFRMETPLK1ALKINSR
SCHEMBL30860353 0.89 EGFR (0.56) EGFRMETPLK1ALKINSR
SCHEMBL30860424 0.88 EGFR (0.56) EGFRMETPLK1ALKINSR
SCHEMBL30860759 0.88 EGFR (0.56) EGFRMET
SCHEMBL30860746 0.87 EGFR (0.54) EGFRMETPLK1
SCHEMBL29785229 0.84 EGFR (0.62) EGFR
SCHEMBL27091359 0.84 EGFR (0.62) EGFR
SCHEMBL25001347 0.82 EGFR (0.63) EGFRMETPLK1ALKINSR
SCHEMBL30860750 0.82 EGFR (0.55) EGFRMETPLK1ALKINSR

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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