SCHEMBL17527331

SCHEMBL17527331

COc1cc(N2CC[P](C)(O)CC2)ccc1Nc1nnc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.63
▸ ZAP70 P43403 2/20 0.62
▸ TTK P33981 4/20 0.59
▸ FES P07332 3/20 0.59
▸ FLT3 P36888 3/20 0.59
▸ PTK2 Q05397 3/20 0.59
▸ EGFR P00533 3/20 0.59
▸ ROS1 P08922 3/20 0.59
▸ BMPR1B O00238 2/20 0.59
▸ PLK4 O00444 2/20 0.59
▸ GAK O14976 2/20 0.59
▸ ERN1 O75460 2/20 0.59
▸ STK10 O94804 2/20 0.59
▸ ABL1 P00519 2/20 0.59
▸ INSR P06213 2/20 0.59
▸ LCK P06239 2/20 0.59
▸ FYN P06241 2/20 0.59
▸ YES1 P07947 2/20 0.59
▸ IGF1R P08069 2/20 0.59
▸ HCK P08631 2/20 0.59

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
SCHEMBL17527319 0.94 ALK (0.67) ALKZAP70TTKFESFLT3
SCHEMBL11900488 0.93 ALK (0.64) ALKZAP70TTKFESFLT3
SCHEMBL22515548 0.88 ZAP70 (0.63) ALKZAP70TTKFESFLT3
SCHEMBL11900490 0.88 ALK (0.63) ALKZAP70TTKFESFLT3
SCHEMBL1493627 0.87 ALK (0.68) ALKZAP70TTKFESFLT3
SCHEMBL1493628 0.84 ALK (0.68) ALKZAP70TTKFESFLT3
SCHEMBL11916358 0.83 ALK (0.51) ALKZAP70TTKFESFLT3
SCHEMBL11916458 0.82 ALK (0.80) ALKZAP70TTKFESFLT3
SCHEMBL17527378 0.81 ALK (0.57) ALKZAP70EGFRROS1INSR
SCHEMBL17527401 0.80 ALK (0.54) ALKZAP70TTKFESFLT3

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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