SCHEMBL16309181

SCHEMBL16309181

Cc1ccccc1Cn1c(=O)c(-c2ncn(S(=O)(=O)c3cccs3)c2C)cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 1/20 0.46
PAK4 O96013 1/20 0.46
LIMK1 P53667 1/20 0.46
LIMK2 P53671 1/20 0.46
PAK1 Q13153 1/20 0.46
PAK2 Q13177 1/20 0.46
PKN1 Q16512 1/20 0.46
TNK2 Q07912 14/20 0.44
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
WEE1 P30291 3/20 0.40
SRC P12931 1/20 0.39
KCNH2 Q12809 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
SCHEMBL15036044 0.93 PAK3 (0.45) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041663 0.86 PAK3 (0.45) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL16309190 0.84 PAK3 (0.53) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL16511952 0.78 PAK3 (0.57) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041690 0.78 PAK1 (0.52) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15036082 0.77 PAK3 (0.51) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL16309179 0.74 TNK2 (0.52) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL16309198 0.74 WEE1 (0.52) PAK3PAK4PAK1PAK2PKN1
SCHEMBL16570446 0.73 JAK2 (0.49) WEE1KCNH2
SCHEMBL15041367 0.72 PAK3 (0.54) PAK3PAK4LIMK1LIMK2PAK1

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-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed