SCHEMBL30860285

SCHEMBL30860285

CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5cc6c(cc5N(C)S(C)(=O)=O)CCO6)n4)c(Cl)c3)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.66
▸ MET P08581 3/20 0.66
▸ ALK Q9UM73 15/20 0.57
▸ INSR P06213 13/20 0.57
▸ IGF1R P08069 11/20 0.57
▸ FGFR1 P11362 3/20 0.53
▸ FGFR2 P21802 3/20 0.53
▸ FGFR4 P22455 3/20 0.53
▸ FGFR3 P22607 3/20 0.53
▸ PTK2 Q05397 3/20 0.53
▸ CHEK1 O14757 2/20 0.53
▸ AURKA O14965 2/20 0.53
▸ NUAK1 O60285 2/20 0.53
▸ JAK2 O60674 2/20 0.53
▸ STK10 O94804 2/20 0.53
▸ PRKD3 O94806 2/20 0.53
▸ CHEK2 O96017 2/20 0.53
▸ ABL1 P00519 2/20 0.53
▸ ERBB2 P04626 2/20 0.53
▸ LCK P06239 2/20 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
SCHEMBL30860744 0.95 EGFR (0.60) EGFRMETALKINSRIGF1R
SCHEMBL26906511 0.90 EGFR (0.58) EGFRMETALKINSRIGF1R
SCHEMBL26906717 0.89 EGFR (0.56) EGFRMETALKINSRIGF1R
SCHEMBL30860383 0.89 EGFR (0.55) EGFRMETALKINSRIGF1R
SCHEMBL26906761 0.88 EGFR (0.66) EGFRMETALKINSRIGF1R
SCHEMBL26906515 0.87 EGFR (0.63) EGFRMETALKINSRIGF1R
SCHEMBL26906601 0.86 EGFR (0.62) EGFRMETALKINSRIGF1R
SCHEMBL30860361 0.85 ALK (0.61) EGFRMETALKINSRIGF1R
SCHEMBL30860291 0.85 EGFR (0.61) EGFRMETALKINSRIGF1R
SCHEMBL30860402 0.85 EGFR (0.51) 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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