SCHEMBL2944328

SCHEMBL2944328

CC[N+]1(C(C(=O)Cl)N(C)C)C(=O)C(N)CCc2c1ccc([N+](=O)[O-])c2OC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2944325 0.70 GAA (0.32)
SCHEMBL2944324 0.68 ALDH1A1 (0.32)
SCHEMBL2062292 0.67 ALDH1A1 (0.37) SMN1; SMN2
SCHEMBL2062766 0.62 ALDH1A1 (0.36) SMN1; SMN2
SCHEMBL2943806 0.59 ALDH1A1 (0.37) SMN1; SMN2
SCHEMBL2913929 0.56 CRBN (0.37)
SCHEMBL17605160 0.56 ALDH1A1 (0.61)
SCHEMBL2062829 0.55 ALK (0.40) SMN1; SMN2
SCHEMBL19182458 0.55 CHEK1 (0.41) SMN1; SMN2
SCHEMBL19756312 0.55 ALDH1A1 (0.40)

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-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed