SCHEMBL15030195

SCHEMBL15030195

CCn1c(=O)c(-c2ccc(-c3cccs3)cc2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.71
PKN1 Q16512 3/20 0.71
PAK3 O75914 2/20 0.71
PAK2 Q13177 2/20 0.71
PAK4 O96013 2/20 0.66
WEE1 P30291 1/20 0.65
CDK4 P11802 4/20 0.56
CCND1 P24385 4/20 0.56
CCND2 P30279 4/20 0.56
CCND3 P30281 4/20 0.56
FGFR1 P11362 3/20 0.51
SRC P12931 2/20 0.51
FGFR2 P21802 1/20 0.51
FGFR4 P22455 1/20 0.51
FGFR3 P22607 1/20 0.51
TNK2 Q07912 3/20 0.48
MAP3K7 O43318 1/20 0.47
EGFR P00533 1/20 0.46

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
SCHEMBL1680898 0.92 PAK1 (0.84) PAK1PKN1PAK3PAK2PAK4
SCHEMBL14824607 0.92 PAK1 (0.70) PAK1PKN1PAK3PAK2PAK4
SCHEMBL13554024 0.92 WEE1 (0.71) PAK1PKN1PAK3PAK2PAK4
Hydrochloric Acid SCHEMBL1680884 0.91 PAK1 (0.84) PAK1PKN1PAK3PAK2PAK4
SCHEMBL13553550 0.88 WEE1 (0.69) PAK1PKN1PAK3PAK2PAK4
SCHEMBL15030197 0.87 PAK1 (0.67) PAK1PKN1PAK3PAK2PAK4
SCHEMBL15030203 0.87 PAK1 (0.67) PAK1PKN1PAK3PAK2PAK4
SCHEMBL1681327 0.86 WEE1 (0.68) PAK1PKN1PAK3PAK2PAK4
SCHEMBL15030196 0.85 PAK1 (0.66) PAK1PKN1PAK3PAK2PAK4
SCHEMBL15035991 0.83 PAK1 (0.69) PAK1PKN1PAK3PAK2PAK4

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
WO-2013086451-A2 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-13 WO disclosed