SCHEMBL16309178

SCHEMBL16309178

CCS(=O)(=O)c1ccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCS5)cc4)nc3n(Cc3ccccc3C)c2=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.43
PKN1 Q16512 3/20 0.41
PAK4 O96013 2/20 0.41
WEE1 P30291 1/20 0.41
PAK1 Q13153 3/20 0.41
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
RIPK2 O43353 1/20 0.39
NOD2 Q9HC29 1/20 0.39
PAK3 O75914 2/20 0.39
PAK2 Q13177 2/20 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
SCHEMBL15041507 0.83 TNK2 (0.44) TNK2PKN1PAK4WEE1PAK1
SCHEMBL15036026 0.83 TNK2 (0.44) TNK2PKN1PAK4WEE1PAK1
SCHEMBL16309192 0.82 TNK2 (0.46) TNK2PKN1PAK4WEE1PAK1
SCHEMBL16310842 0.81 TNK2 (0.41) TNK2PKN1PAK4WEE1PAK1
SCHEMBL13554015 0.75 PAK1 (0.59) TNK2PKN1PAK4WEE1PAK1
SCHEMBL14681996 0.75 TNK2 (0.43) TNK2PKN1PAK4WEE1
Hydrochloric Acid SCHEMBL1681161 0.75 PAK1 (0.58) TNK2PKN1PAK4WEE1PAK1
SCHEMBL15035853 0.74 WEE1 (0.38) TNK2PKN1PAK4WEE1PAK1
SCHEMBL15041504 0.74 PKN1 (0.40) TNK2PKN1PAK4WEE1PAK1
SCHEMBL16309185 0.74 RIPK2 (0.41) TNK2WEE1FGFR1RIPK2NOD2

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