SCHEMBL29114855

SCHEMBL29114855

COc1nc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(N(c2ccccc2S(C)(=O)=O)S(C)(=O)=O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.56
▸ INSR P06213 9/20 0.56
▸ IGF1R P08069 7/20 0.56
▸ ROS1 P08922 6/20 0.56
▸ EGFR P00533 7/20 0.55
▸ MET P08581 2/20 0.55
▸ FGFR1 P11362 2/20 0.51
▸ FGFR2 P21802 2/20 0.51
▸ FGFR4 P22455 2/20 0.51
▸ FGFR3 P22607 2/20 0.51
▸ PTK2 Q05397 2/20 0.51
▸ BMPR1B O00238 1/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ STK25 O00506 1/20 0.51
▸ RIOK3 O14730 1/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ CASK O14936 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ DCLK1 O15075 1/20 0.51

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
SCHEMBL29904634 0.92 ALK (0.63) ALKINSRIGF1RROS1EGFR
SCHEMBL26906910 0.92 ALK (0.63) ALKINSRIGF1RROS1EGFR
SCHEMBL29114877 0.86 ZAP70 (0.49) ALKINSRIGF1RROS1EGFR
SCHEMBL29114860 0.85 ALK (0.47) ALKINSRIGF1RROS1EGFR
SCHEMBL29114857 0.85 ALK (0.61) ALKINSRIGF1RROS1EGFR
SCHEMBL26906727 0.83 ALK (0.50) ALKINSRIGF1RROS1EGFR
SCHEMBL29904674 0.83 ALK (0.50) ALKINSRIGF1RROS1EGFR
SCHEMBL26906797 0.80 ALK (0.68) ALKINSRIGF1RROS1EGFR
SCHEMBL29114861 0.79 ALK (0.66) ALKINSRIGF1RROS1EGFR
SCHEMBL29904644 0.78 ALK (0.68) ALKINSRIGF1RROS1EGFR

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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