SCHEMBL30860344

SCHEMBL30860344

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Cl)cc1Nc1ncc(Br)c(Nc2cc3occc3cc2N(C)S(C)(=O)=O)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.57
▸ MET P08581 1/20 0.57
▸ ALK Q9UM73 9/20 0.49
▸ INSR P06213 8/20 0.49
▸ IGF1R P08069 7/20 0.49
▸ PTK2 Q05397 1/20 0.46

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
SCHEMBL30860323 0.93 EGFR (0.59) EGFRMETALKINSRIGF1R
SCHEMBL30860267 0.89 EGFR (0.51) EGFRMETALKINSRIGF1R
SCHEMBL30860245 0.89 EGFR (0.58) EGFRMETALKINSRIGF1R
SCHEMBL30860253 0.89 EGFR (0.58) EGFRMETALKINSRIGF1R
SCHEMBL26906729 0.89 EGFR (0.63) EGFRMETALKINSRIGF1R
SCHEMBL30860342 0.88 EGFR (0.59) EGFRMETALKINSRIGF1R
SCHEMBL26906830 0.87 EGFR (0.56) EGFRMETALKINSRIGF1R
SCHEMBL30860353 0.85 EGFR (0.56) EGFRMETALKINSRIGF1R
SCHEMBL30860326 0.83 EGFR (0.58) EGFRMETALKINSRIGF1R
SCHEMBL26906733 0.83 EGFR (0.61) EGFRMETALKINSRIGF1R

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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