SCHEMBL29114867

SCHEMBL29114867

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Cl)c(N(c2ccc3scnc3c2S(C)(=O)=O)S(C)(=O)=O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.53
▸ INSR P06213 6/20 0.53
▸ IGF1R P08069 6/20 0.53
▸ EGFR P00533 14/20 0.51
▸ MET P08581 2/20 0.48
▸ BMPR1B O00238 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ STK25 O00506 1/20 0.42
▸ RIOK3 O14730 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ CASK O14936 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ GAK O14976 1/20 0.42
▸ DCLK1 O15075 1/20 0.42
▸ MUSK O15146 1/20 0.42
▸ EPHB6 O15197 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ MAP3K13 O43283 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ MAP3K7 O43318 1/20 0.42

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
SCHEMBL29114849 0.95 EGFR (0.51) ALKINSRIGF1REGFRMET
SCHEMBL26907013 0.92 ALK (0.52) ALKINSRIGF1REGFRMET
SCHEMBL26906899 0.87 EGFR (0.49) ALKINSRIGF1REGFRMET
SCHEMBL29114860 0.86 ALK (0.47) ALKINSRIGF1REGFRMET
SCHEMBL29114857 0.85 ALK (0.61) ALKINSRIGF1REGFRMET
SCHEMBL26906854 0.83 INSR (0.62) ALKINSRIGF1REGFRMET
SCHEMBL29114858 0.82 EGFR (0.43) ALKINSRIGF1REGFRMET
SCHEMBL29904674 0.78 ALK (0.50) ALKINSRIGF1REGFRMET
SCHEMBL26906727 0.78 ALK (0.50) ALKINSRIGF1REGFRMET
SCHEMBL26906874 0.77 INSR (0.62) ALKINSRIGF1REGFRMET

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
CN-117120424-A Pyrimidine derivatives having protein kinase inhibitory activity and therapeutic combinations comprising the same 泰拉佩克斯有限公司 2023-11-24 — — CN claimed
CN-117120424-A Pyrimidine derivatives having protein kinase inhibitory activity and therapeutic combinations comprising the same 泰拉佩克斯有限公司 2023-11-24 — — CN disclosed
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