SCHEMBL11344864

SCHEMBL11344864

O=C(O)N1CCN(c2ccc(Nc3nc(Cl)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.56
ALK Q9UM73 1/20 0.43
SYK P43405 2/20 0.42
JAK2 O60674 1/20 0.42
EGFR P00533 3/20 0.41
TYK2 P29597 1/20 0.40

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
SCHEMBL15795332 0.86 ZAP70 (0.50) ZAP70JAK2
SCHEMBL1049032 0.85 ZAP70 (0.72) ZAP70SYKJAK2
SCHEMBL11335352 0.81 ZAP70 (0.54) ZAP70ALKSYKJAK2EGFR
SCHEMBL1048642 0.76 ZAP70 (0.64) ZAP70SYK
SCHEMBL1048365 0.74 ZAP70 (0.67) ZAP70SYKJAK2
SCHEMBL1048551 0.73 ZAP70 (0.80) ZAP70JAK2EGFR
SCHEMBL6521222 0.73 ZAP70 (0.65) ZAP70SYKJAK2EGFR
SCHEMBL6521235 0.73 ZAP70 (0.65) ZAP70SYKJAK2EGFR
SCHEMBL1044800 0.73 ZAP70 (0.82) ZAP70SYKJAK2
SCHEMBL1044792 0.72 ZAP70 (1.00) ZAP70SYKJAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665725-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP disclosed
WO-2012097683-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 WO disclosed