SCHEMBL30860234

SCHEMBL30860234

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2cc3nccnc3cc2N(C)S(C)(=O)=O)n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.67
▸ MET P08581 1/20 0.54
▸ INSR P06213 1/20 0.53
▸ IGF1R P08069 1/20 0.53
▸ ALK Q9UM73 1/20 0.53

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
SCHEMBL30860342 0.93 EGFR (0.59) EGFRMETINSRIGF1RALK
SCHEMBL30860333 0.90 EGFR (0.59) EGFRMETINSRIGF1RALK
SCHEMBL30860266 0.90 EGFR (0.60) EGFRMETINSRIGF1RALK
SCHEMBL30860268 0.90 EGFR (0.65) EGFRMETINSRIGF1RALK
SCHEMBL27091531 0.89 EGFR (0.71) EGFRINSRIGF1RALK
SCHEMBL29785240 0.89 EGFR (0.77) EGFR
SCHEMBL26378817 0.89 EGFR (0.77) EGFR
SCHEMBL26906733 0.89 EGFR (0.61) EGFRMETINSRIGF1RALK
SCHEMBL26906994 0.88 EGFR (0.61) EGFRMETINSRIGF1RALK
SCHEMBL30860323 0.88 EGFR (0.59) EGFRMETINSRIGF1RALK

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
Send feedback