SCHEMBL30180253

SCHEMBL30180253

COc1cc(N2CCNCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.85
▸ INSR P06213 13/20 0.83
▸ IGF1R P08069 13/20 0.83
▸ AURKA O14965 2/20 0.78
▸ ROS1 P08922 2/20 0.78
▸ EML4 Q9HC35 2/20 0.78
▸ EGFR P00533 3/20 0.77
▸ CHEK1 O14757 1/20 0.75
▸ NUAK1 O60285 1/20 0.75
▸ JAK2 O60674 1/20 0.75
▸ STK10 O94804 1/20 0.75
▸ PRKD3 O94806 1/20 0.75
▸ SLC34A2 O95436 1/20 0.75
▸ CHEK2 O96017 1/20 0.75
▸ ABL1 P00519 1/20 0.75
▸ CD74 P04233 1/20 0.75
▸ ERBB2 P04626 1/20 0.75
▸ LCK P06239 1/20 0.75
▸ FYN P06241 1/20 0.75
▸ FES P07332 1/20 0.75

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
SCHEMBL11916456 1.00 ALK (0.85) ALKINSRIGF1RAURKAROS1
SCHEMBL11916454 0.93 ALK (0.87) ALKINSRIGF1RAURKAROS1
SCHEMBL30090724 0.93 ALK (0.87) ALKINSRIGF1RAURKAROS1
SCHEMBL17411098 0.92 ALK (1.00) ALKINSRIGF1RAURKAROS1
SCHEMBL11916595 0.92 ALK (0.86) ALKINSRIGF1RAURKAROS1
SCHEMBL11916443 0.91 ALK (1.00) ALKINSRIGF1RAURKAROS1
SCHEMBL28680439 0.91 ALK (0.84) ALKINSRIGF1RAURKAROS1
SCHEMBL24818137 0.90 ALK (0.83) ALKINSRIGF1RAURKAROS1
SCHEMBL21135587 0.90 ALK (0.86) ALKINSRIGF1RAURKAROS1
SCHEMBL11916574 0.90 ALK (0.86) ALKINSRIGF1RAURKAROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4362939-A1 BIFUNCTIONAL COMPOUNDS THAT DEGRADE ALK AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-05-08 — — EP disclosed
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
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO disclosed
WO-2023278325-A1 BIFUNCTIONAL COMPOUNDS THAT DEGRADE ALK AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-01-05 — — WO disclosed
WO-2022251588-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2022-12-01 — — WO disclosed
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