SCHEMBL30860291

SCHEMBL30860291

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Br)cc1Nc1ncc(Cl)c(Nc2cc3c(cc2N(C)S(C)(=O)=O)CCO3)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.61
▸ MET P08581 2/20 0.61
▸ ALK Q9UM73 13/20 0.53
▸ INSR P06213 11/20 0.53
▸ IGF1R P08069 10/20 0.53
▸ PTK2 Q05397 2/20 0.51
▸ BMPR1B O00238 1/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ STK25 O00506 1/20 0.49
▸ RIOK3 O14730 1/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ CASK O14936 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ GAK O14976 1/20 0.49
▸ DCLK1 O15075 1/20 0.49
▸ MUSK O15146 1/20 0.49
▸ EPHB6 O15197 1/20 0.49
▸ PDPK1 O15530 1/20 0.49
▸ MAP3K13 O43283 1/20 0.49
▸ DAPK3 O43293 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
SCHEMBL30860239 0.94 EGFR (0.55) EGFRMETALKINSRIGF1R
SCHEMBL26906515 0.94 EGFR (0.63) EGFRMETALKINSRIGF1R
SCHEMBL30860383 0.94 EGFR (0.55) EGFRMETALKINSRIGF1R
SCHEMBL26906601 0.93 EGFR (0.62) EGFRMETALKINSRIGF1R
SCHEMBL30860361 0.93 ALK (0.61) EGFRMETALKINSRIGF1R
SCHEMBL26906830 0.93 EGFR (0.56) EGFRMETALKINSRIGF1R
SCHEMBL30860305 0.92 EGFR (0.61) EGFRMETALKINSRIGF1R
SCHEMBL26906972 0.92 EGFR (0.61) EGFRMETALKINSRIGF1R
SCHEMBL26906634 0.91 EGFR (0.59) EGFRMETALKINSRIGF1R
SCHEMBL26906629 0.91 EGFR (0.58) 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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