SCHEMBL30761516

SCHEMBL30761516

COc1cc(C2CCN(C3CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.79
▸ INSR P06213 11/20 0.79
▸ IGF1R P08069 11/20 0.79
▸ EGFR P00533 5/20 0.77
▸ PTK2 Q05397 2/20 0.68
▸ MET P08581 2/20 0.68
▸ CHEK1 O14757 1/20 0.68
▸ AURKA O14965 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
SCHEMBL11919111 0.92 ALK (0.81) ALKINSRIGF1REGFRPTK2
SCHEMBL11916433 0.92 ALK (0.91) ALKINSRIGF1REGFRPTK2
SCHEMBL24816848 0.90 ALK (0.76) ALKINSRIGF1REGFRPTK2
SCHEMBL11916557 0.89 ALK (0.85) ALKINSRIGF1REGFRPTK2
SCHEMBL18350610 0.89 ALK (0.85) ALKINSRIGF1REGFRPTK2
SCHEMBL15444826 0.89 ALK (1.00) ALKINSRIGF1REGFRPTK2
SCHEMBL30761544 0.88 ALK (0.71) ALKINSRIGF1REGFRPTK2
SCHEMBL21846971 0.87 EGFR (1.00) EGFRMET
SCHEMBL17411243 0.87 ALK (0.82) ALKINSRIGF1REGFRPTK2
SCHEMBL11916454 0.86 ALK (0.87) ALKINSRIGF1REGFRPTK2

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
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