SCHEMBL298435

SCHEMBL298435

Cn1cc(-c2cnc3[nH]cc(C(=O)c4cc(C(N)=O)ccc4C4(S(=O)(=O)O)CC4)c3c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 17/20 0.51
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PAK4 O96013 1/20 0.41
TNIK Q9UKE5 1/20 0.41
ALK Q9UM73 1/20 0.41
PKN1 Q16512 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
SCHEMBL299489 0.96 PAK1 (0.49) PAK1MKNK1MKNK2PAK4TNIK
SCHEMBL298248 0.83 PAK1 (0.56) PAK1MKNK1MKNK2PAK4ALK
SCHEMBL297099 0.83 BRAF (0.43) PAK1PAK4TNIKPKN1
SCHEMBL297910 0.81 CYP2C19 (0.41) PAK1PAK4TNIKPKN1
SCHEMBL298168 0.81 PAK1 (0.49) PAK1MKNK1MKNK2PAK4ALK
SCHEMBL298555 0.80 CYP2C19 (0.41) PAK1PAK4TNIKPKN1
SCHEMBL298746 0.80 CAMKK2 (0.57) PAK1PAK4TNIKPKN1
SCHEMBL3704923 0.80 PAK1 (0.56) PAK1MKNK1MKNK2PAK4ALK
SCHEMBL298126 0.79 BRAF (0.42) PAK1PAK4TNIKPKN1
SCHEMBL299063 0.79 PAK1 (0.40) PAK1PAK4TNIK

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