SCHEMBL30761517

SCHEMBL30761517

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.82
▸ INSR P06213 11/20 0.82
▸ IGF1R P08069 11/20 0.82
▸ AURKA O14965 2/20 0.70
▸ ROS1 P08922 2/20 0.70
▸ EML4 Q9HC35 2/20 0.70
▸ EGFR P00533 4/20 0.69
▸ CHEK1 O14757 1/20 0.68
▸ NUAK1 O60285 1/20 0.68
▸ JAK2 O60674 1/20 0.68
▸ STK10 O94804 1/20 0.68
▸ PRKD3 O94806 1/20 0.68
▸ SLC34A2 O95436 1/20 0.68
▸ CHEK2 O96017 1/20 0.68
▸ ABL1 P00519 1/20 0.68
▸ CD74 P04233 1/20 0.68
▸ ERBB2 P04626 1/20 0.68
▸ LCK P06239 1/20 0.68
▸ FYN P06241 1/20 0.68
▸ FES P07332 1/20 0.68

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
SCHEMBL24207615 0.93 ALK (0.73) ALKINSRIGF1RAURKAROS1
SCHEMBL11916533 0.90 ALK (1.00) ALKINSRIGF1RAURKAROS1
SCHEMBL21847010 0.89 ALK (0.81) ALKINSRIGF1REGFR
SCHEMBL11916601 0.89 ALK (0.85) ALKINSRIGF1RAURKAROS1
SCHEMBL22493310 0.88 ALK (0.83) ALKINSRIGF1RAURKAROS1
SCHEMBL16752969 0.88 ALK (1.00) ALK
SCHEMBL16752955 0.88 ALK (1.00) ALK
SCHEMBL11916443 0.87 ALK (1.00) ALKINSRIGF1RAURKAROS1
SCHEMBL22493315 0.87 ALK (0.79) ALKINSRIGF1RAURKAROS1
SCHEMBL16752912 0.86 ALK (0.85) ALKEGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059525-A2 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANAPLASTIC LYMPHOMA KINASE AND ROS1 KINASE ENDOTARGET, INC. (US) 2024-03-21 — — WO disclosed
Send feedback