SCHEMBL30860383

SCHEMBL30860383

CN1CCN(C2CCN(c3cc(Cl)c(Nc4ncc(Cl)c(Nc5cc6c(cc5N(C)S(C)(=O)=O)CCO6)n4)cc3Br)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.55
▸ MET P08581 2/20 0.55
▸ ALK Q9UM73 12/20 0.48
▸ INSR P06213 10/20 0.48
▸ PTK2 Q05397 2/20 0.48
▸ IGF1R P08069 8/20 0.47
▸ FGFR1 P11362 2/20 0.44
▸ FGFR2 P21802 2/20 0.44
▸ FGFR4 P22455 2/20 0.44
▸ FGFR3 P22607 2/20 0.44
▸ BMPR1B O00238 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ STK25 O00506 1/20 0.44
▸ RIOK3 O14730 1/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ CASK O14936 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ GAK O14976 1/20 0.44
▸ DCLK1 O15075 1/20 0.44
▸ MUSK O15146 1/20 0.44

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
SCHEMBL30860402 0.96 EGFR (0.51) EGFRMETALKINSRPTK2
SCHEMBL26906511 0.94 EGFR (0.58) EGFRMETALKINSRPTK2
SCHEMBL30860291 0.94 EGFR (0.61) EGFRMETALKINSRPTK2
SCHEMBL26906717 0.93 EGFR (0.56) EGFRMETALKINSRPTK2
SCHEMBL26906498 0.92 EGFR (0.51) EGFRMETALKINSRPTK2
SCHEMBL26906997 0.91 EGFR (0.51) EGFRMETALKINSRPTK2
SCHEMBL30860260 0.89 EGFR (0.54) EGFRMETALKINSRPTK2
SCHEMBL30860285 0.89 EGFR (0.66) EGFRMETALKINSRPTK2
SCHEMBL30860744 0.88 EGFR (0.60) EGFRMETALKINSRPTK2
SCHEMBL26906515 0.88 EGFR (0.63) EGFRMETALKINSRPTK2

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