SCHEMBL18831901

SCHEMBL18831901

COc1cc(N2CCC3(CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2[PH](C)(C)OI)n1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.72
▸ EGFR P00533 7/20 0.61
▸ INSR P06213 3/20 0.55
▸ IGF1R P08069 2/20 0.54
▸ AXL P30530 1/20 0.54

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
SCHEMBL18831913 0.96 ALK (0.72) ALKEGFRINSRIGF1RAXL
SCHEMBL18831884 0.91 ALK (0.72) ALKEGFRINSRIGF1RAXL
SCHEMBL18831885 0.88 EGFR (0.62) ALKEGFRINSRIGF1RAXL
SCHEMBL17411098 0.84 ALK (1.00) ALKEGFRINSRIGF1R
SCHEMBL25299463 0.83 ALK (0.72) ALKEGFR
SCHEMBL29059674 0.82 ALK (0.74) ALKEGFRINSRIGF1R
SCHEMBL25872148 0.82 ALK (0.73) ALKEGFRINSRIGF1R
SCHEMBL18831904 0.82 ALK (0.72) ALKEGFRINSRIGF1R
SCHEMBL18831886 0.82 ALK (0.72) ALKEGFRINSRIGF1R
SCHEMBL25308115 0.81 ALK (0.71) ALKEGFRINSR

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
EP-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 — — EP disclosed
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