SCHEMBL17527347

SCHEMBL17527347

CCN1CC[P](O)(c2ccc(Nc3nc(Nc4ncc(C5CC5)o4)ncc3Cl)c(OC)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.47
▸ INSR P06213 1/20 0.47
▸ ROS1 P08922 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43

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
SCHEMBL11900440 0.91 ALK (0.47) ALKINSRROS1EGFR
SCHEMBL11900724 0.84 ALK (0.46) ALKINSRROS1
SCHEMBL21709591 0.80 ALK (0.51) ALKINSRLRRK2
SCHEMBL11916339 0.79 ALK (0.55) ALKINSREGFRLRRK2
SCHEMBL19288567 0.78 ALK (0.49) ALKINSRROS1EGFRLRRK2
SCHEMBL17527454 0.78 ALK (0.59) ALKINSRROS1EGFRLRRK2
SCHEMBL19288528 0.76 ALK (0.39) ALKINSRROS1
SCHEMBL11901894 0.75 ALK (0.59) ALKINSRROS1EGFRLRRK2
SCHEMBL11900720 0.73 ALK (0.46) ALKINSRROS1
SCHEMBL11901898 0.73 ALK (0.59) ALKINSRROS1EGFRLRRK2

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
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 — — US claimed
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