SCHEMBL17527319

SCHEMBL17527319

COc1cc(N2CCC(N3CC[P](C)(O)CC3)CC2)ccc1Nc1nnc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.67
▸ INSR P06213 4/20 0.67
▸ TTK P33981 4/20 0.67
▸ FES P07332 3/20 0.67
▸ FLT3 P36888 3/20 0.67
▸ IGF1R P08069 3/20 0.67
▸ ZAP70 P43403 2/20 0.67
▸ BMPR1B O00238 2/20 0.67
▸ PLK4 O00444 2/20 0.67
▸ GAK O14976 2/20 0.67
▸ ERN1 O75460 2/20 0.67
▸ STK10 O94804 2/20 0.67
▸ ABL1 P00519 2/20 0.67
▸ EGFR P00533 2/20 0.67
▸ LCK P06239 2/20 0.67
▸ FYN P06241 2/20 0.67
▸ YES1 P07947 2/20 0.67
▸ HCK P08631 2/20 0.67
▸ ROS1 P08922 2/20 0.67
▸ FER P16591 2/20 0.67

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
SCHEMBL1493627 0.94 ALK (0.68) ALKINSRTTKFESFLT3
SCHEMBL17527331 0.94 ALK (0.63) ALKINSRTTKFESFLT3
SCHEMBL1493628 0.89 ALK (0.68) ALKINSRTTKFESFLT3
SCHEMBL11900488 0.87 ALK (0.64) ALKINSRTTKFESFLT3
SCHEMBL22515548 0.87 ZAP70 (0.63) ALKINSRTTKFESFLT3
SCHEMBL11916359 0.85 ALK (0.56) ALKINSRTTKFESFLT3
SCHEMBL11916498 0.84 ALK (0.83) ALKINSRTTKFESFLT3
SCHEMBL11900490 0.84 ALK (0.63) ALKINSRTTKFESFLT3
SCHEMBL17527459 0.82 ALK (0.58) ALKINSRTTKFESFLT3
Tae-684 SCHEMBL282775 0.80 ALK (1.00) ALKINSRTTKFESFLT3

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