SCHEMBL299489

SCHEMBL299489

Cn1cc(-c2cnc3[nH]cc(C(=O)c4cc(C(N)=O)ccc4C4(S(=O)(=O)O)CCCCC4)c3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 15/20 0.49
PDPK1 O15530 2/20 0.40
PAK4 O96013 1/20 0.40
TNIK Q9UKE5 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL298435 0.96 PAK1 (0.51) PAK1PAK4TNIKMKNK1MKNK2
SCHEMBL298555 0.85 CYP2C19 (0.41) PAK1PDPK1PAK4TNIK
SCHEMBL298746 0.85 CAMKK2 (0.57) PAK1PDPK1PAK4TNIK
SCHEMBL297910 0.84 CYP2C19 (0.41) PAK1PDPK1PAK4TNIK
SCHEMBL298748 0.83 BRAF (0.41) PAK1PDPK1PAK4TNIK
SCHEMBL298502 0.83 PAK1 (0.39) PAK1PDPK1PAK4TNIK
SCHEMBL299342 0.83 AAK1 (0.38) PAK1MKNK2
SCHEMBL298126 0.83 BRAF (0.42) PAK1PDPK1PAK4TNIK
SCHEMBL299063 0.83 PAK1 (0.40) PAK1PDPK1PAK4TNIK
SCHEMBL297236 0.82 AAK1 (0.39) PAK1PDPK1PAK4MKNK2

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
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed