SCHEMBL19288535

SCHEMBL19288535

COc1cc(N2CCP(C)(=O)CC2)ccc1Nc1nc(NCC2CC=CS2)ncc1Cl

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.56
▸ INSR P06213 2/20 0.56
▸ LRRK2 Q5S007 2/20 0.52
▸ EGFR P00533 3/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ ZAP70 P43403 1/20 0.51

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
SCHEMBL11901068 0.83 ALK (0.57) ALKINSRLRRK2EGFRIGF1R
SCHEMBL1493535 0.80 ALK (0.60) ALKINSRLRRK2
SCHEMBL11916333 0.79 ALK (0.60) ALKINSRLRRK2EGFRIGF1R
SCHEMBL11916429 0.76 ALK (0.79) ALKINSRLRRK2EGFRIGF1R
SCHEMBL11900968 0.76 ALK (0.51) ALKINSREGFRIGF1RZAP70
SCHEMBL11916458 0.75 ALK (0.80) ALKINSRLRRK2EGFRIGF1R
SCHEMBL19288500 0.74 ALK (0.54) ALKINSRZAP70
SCHEMBL11900797 0.73 ALK (0.53) ALKINSR
SCHEMBL1493647 0.73 ALK (0.61) ALKINSRLRRK2EGFRIGF1R
SCHEMBL16752958 0.72 ALK (1.00) ALKINSRLRRK2EGFR

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-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 — — EP disclosed
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