SCHEMBL17527398

SCHEMBL17527398

COc1cc(N2CC[PH](C)(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)cnn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.54
▸ TTK P33981 5/20 0.54
▸ GAK O14976 3/20 0.54
▸ INSR P06213 3/20 0.54
▸ IGF1R P08069 3/20 0.54
▸ LTK P29376 3/20 0.54
▸ PTK2 Q05397 3/20 0.54
▸ TNK2 Q07912 3/20 0.54
▸ TNK1 Q13470 3/20 0.54
▸ PTK2B Q14289 3/20 0.54
▸ INSRR P14616 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ CLK1 P49759 2/20 0.54
▸ FES P07332 3/20 0.50
▸ FLT3 P36888 3/20 0.50
▸ ZAP70 P43403 2/20 0.50
▸ EGFR P00533 3/20 0.49
▸ ROS1 P08922 3/20 0.49
▸ BMPR1B O00238 2/20 0.49
▸ PLK4 O00444 2/20 0.49

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
SCHEMBL17527458 0.94 ALK (0.58) ALKTTKGAKINSRIGF1R
SCHEMBL17527401 0.88 ALK (0.54) ALKTTKGAKINSRIGF1R
SCHEMBL11916349 0.87 ALK (0.54) ALKTTKGAKINSRIGF1R
SCHEMBL17527459 0.83 ALK (0.58) ALKTTKGAKINSRIGF1R
SCHEMBL11916350 0.82 ALK (0.58) ALKTTKGAKINSRIGF1R
SCHEMBL11901912 0.80 ALK (0.46) ALKTTKGAKINSRIGF1R
SCHEMBL11900490 0.80 ALK (0.63) ALKTTKGAKINSRIGF1R
SCHEMBL11916340 0.79 ALK (0.61) ALKTTKGAKINSRIGF1R
SCHEMBL17527349 0.76 ALK (0.47) ALKTTKGAKINSRIGF1R
SCHEMBL11901307 0.76 ALK (0.52) ALKTTKGAKINSRIGF1R

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
Send feedback