SCHEMBL17527282

SCHEMBL17527282

COc1cc(N2CC[P](C)(O)CC2)ccc1Nc1nc(Nc2ncc(C(C)C)o2)ncc1Cl

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.60
▸ INSR P06213 2/20 0.60
▸ LRRK2 Q5S007 1/20 0.54
▸ IGF1R P08069 1/20 0.52

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
SCHEMBL11916333 0.92 ALK (0.60) ALKINSRLRRK2IGF1R
SCHEMBL15206515 0.87 ALK (0.63) ALKINSRLRRK2IGF1R
SCHEMBL17527454 0.83 ALK (0.59) ALKINSRLRRK2IGF1R
SCHEMBL1493538 0.82 ALK (0.60) ALKINSRLRRK2
SCHEMBL17527320 0.76 ALK (0.53) ALKINSR
SCHEMBL11901894 0.76 ALK (0.59) ALKINSRLRRK2IGF1R
SCHEMBL1493649 0.75 ALK (0.61) ALKINSRLRRK2IGF1R
SCHEMBL16752958 0.74 ALK (1.00) ALKINSRLRRK2
SCHEMBL16769540 0.73 ALK (1.00) ALK
SCHEMBL1493535 0.73 ALK (0.60) ALKINSRLRRK2

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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