SCHEMBL3839596

SCHEMBL3839596

CCS(=O)(=O)N(c1ncc2cc(-c3ccccc3C)c(=O)n(C3CCOCC3)c2n1)C1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
SRC P12931 1/20 0.37
BTK Q06187 1/20 0.37
CDK4 P11802 6/20 0.36
CCND1 P24385 6/20 0.36
PIK3CA P42336 5/20 0.36
CCNA2 P20248 4/20 0.36
CDK2 P24941 4/20 0.36
FGFR1 P11362 3/20 0.36
FGFR2 P21802 3/20 0.36
FGFR4 P22455 3/20 0.36
FGFR3 P22607 3/20 0.36
MTOR P42345 1/20 0.36
SLC6A4 P31645 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4036260 0.92 MAPK14 (0.38) MAPK14LCKLYNSRCBTK
SCHEMBL4040628 0.88 MAPK14 (0.40) MAPK14LCKLYNSRCBTK
SCHEMBL5050318 0.86 ALDH1A1 (0.39) MAPK14LCKLYNSRCBTK
SCHEMBL5050315 0.85 PIK3CA (0.39) MAPK14LCKLYNSRCBTK
SCHEMBL4034535 0.83 PIK3CA (0.38) MAPK14LCKLYNSRCBTK
SCHEMBL917926 0.80 MAPK14 (0.56) MAPK14LCKCDK4CCND1CCNA2
SCHEMBL4147310 0.78 MAPK14 (0.44) MAPK14LCKLYNSRCBTK
SCHEMBL4139172 0.77 MAPK14 (0.53) MAPK14LCKCDK4CCND1CCNA2
SCHEMBL3674451 0.76 MAPK14 (0.53) MAPK14LCKCDK4CCND1CDK2
SCHEMBL3671814 0.76 MAPK14 (0.53) MAPK14LCKCDK4CCND1CDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086948-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2009-08-12 EP disclosed
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2008035315-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2008-03-27 WO disclosed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed