SCHEMBL30860743

SCHEMBL30860743

CN1CCN(C2CCN(c3cc(Cl)c(Nc4ncc(Br)c(Nc5cc6c(cc5P(C)(C)=O)CCO6)n4)cc3Cl)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.65
▸ INSR P06213 5/20 0.51
▸ IGF1R P08069 5/20 0.51
▸ ALK Q9UM73 5/20 0.51
▸ CHEK1 O14757 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ NUAK1 O60285 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ STK10 O94804 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ SLC34A2 O95436 1/20 0.49
▸ CHEK2 O96017 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ CD74 P04233 1/20 0.49
▸ ERBB2 P04626 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ FES P07332 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ YES1 P07947 1/20 0.49

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
SCHEMBL30860304 0.94 EGFR (0.60) EGFRINSRIGF1RALKCHEK1
SCHEMBL30860284 0.93 EGFR (0.62) EGFRINSRIGF1RALKCHEK1
SCHEMBL26906557 0.88 EGFR (0.53) EGFRINSRIGF1RALKMET
SCHEMBL26906498 0.86 EGFR (0.51) EGFRINSRIGF1RALKMET
SCHEMBL30860390 0.85 EGFR (0.72) EGFRINSRIGF1RALKCHEK1
SCHEMBL30860404 0.85 EGFR (0.51) EGFRINSRIGF1RALK
SCHEMBL30860292 0.83 EGFR (0.49) EGFRINSRIGF1RALKMET
SCHEMBL26906604 0.82 EGFR (0.53) EGFRINSRIGF1RALKCHEK1
SCHEMBL30860727 0.82 EGFR (0.67) EGFRINSRIGF1RALKCHEK1
SCHEMBL30860402 0.82 EGFR (0.51) EGFRINSRIGF1RALKMET

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 1 patent. 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 disclosed
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