SCHEMBL571741

SCHEMBL571741

O=C(O)C1CCC(n2c(Nc3ccccc3)nc3ccc(CN4CCOCC4)cc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.57
▸ ALK Q9UM73 15/20 0.56
▸ MET P08581 1/20 0.53
▸ EGFR P00533 3/20 0.51
▸ IRAK4 Q9NWZ3 1/20 0.47

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
SCHEMBL571742 0.88 ALK (0.73) SPRALKMETEGFRIRAK4
SCHEMBL571730 0.85 SPR (0.51) SPRALKMETIRAK4
Hydrochloric Acid SCHEMBL572499 0.82 SPR (0.77) SPRALKMET
Hydrochloric Acid SCHEMBL572500 0.82 SPR (0.77) SPRALKMET
SCHEMBL572280 0.81 SPR (0.63) SPRALKMETEGFRIRAK4
SCHEMBL572987 0.81 SPR (0.50) SPRALKMET
SCHEMBL10270132 0.80 ALK (0.85) SPRALKMETEGFRIRAK4
SCHEMBL572510 0.77 SPR (0.59) SPRALKIRAK4
SCHEMBL572239 0.76 ALK (0.60) SPRALKMETIRAK4
SCHEMBL572238 0.76 ALK (0.60) SPRALKMETIRAK4

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
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 — — EP disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 — — WO disclosed
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