SCHEMBL16309199

SCHEMBL16309199

Cc1cc(S(=O)(=O)c2ccccc2)ccc1-c1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(-c2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.44
JAK2 O60674 2/20 0.44
PAK4 O96013 1/20 0.44
PKN1 Q16512 1/20 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
MAP4K1 Q92918 4/20 0.42
TNK2 Q07912 3/20 0.41
WEE1 P30291 5/20 0.41
SRC P12931 1/20 0.41
PLK1 P53350 2/20 0.40
FGFR4 P22455 1/20 0.39
RIPK2 O43353 1/20 0.39
ACVR1 Q04771 1/20 0.39
NOD2 Q9HC29 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
SCHEMBL15036135 0.90 WEE1 (0.43) BRD4JAK2PAK4PKN1CDK4
SCHEMBL15785310 0.86 PAK4 (0.44) BRD4JAK2PAK4PKN1CDK4
SCHEMBL13553909 0.83 PKN1 (0.56) BRD4JAK2PAK4PKN1CDK4
SCHEMBL14682014 0.79 JAK2 (0.49) BRD4JAK2PAK4PKN1CDK4
SCHEMBL15041487 0.79 CDK4 (0.61) JAK2PAK4PKN1CDK4CCND1
SCHEMBL16309182 0.79 PAK4 (0.48) PAK4PKN1TNK2
SCHEMBL16309186 0.78 BRD4 (0.53) BRD4JAK2PAK4PKN1CDK4
SCHEMBL15036459 0.76 CDK4 (0.48) BRD4JAK2PAK4PKN1CDK4
SCHEMBL15036071 0.76 BRD4 (0.52) BRD4JAK2PAK4PKN1CDK4
SCHEMBL15041453 0.76 BRD4 (0.52) BRD4JAK2PAK4PKN1CDK4

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