SCHEMBL4034535

SCHEMBL4034535

Cc1ccccc1-c1cc2cnc(N(C(=O)c3ccccc3)C3CCNCC3)nc2n(C2CCOCC2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.38
MTOR P42345 2/20 0.38
MAPK14 Q16539 2/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LCK P06239 1/20 0.36
CDK4 P11802 5/20 0.36
CCND1 P24385 5/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
LYN P07948 1/20 0.35
SRC P12931 1/20 0.35
BTK Q06187 1/20 0.35
FGFR4 P22455 4/20 0.35
FGFR1 P11362 3/20 0.35
CCNA2 P20248 3/20 0.35
FGFR2 P21802 3/20 0.35
FGFR3 P22607 3/20 0.35
CDK2 P24941 3/20 0.35

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
SCHEMBL5050315 0.91 PIK3CA (0.39) PIK3CAMTORMAPK14SLC6A4SLC6A2
SCHEMBL4040628 0.86 MAPK14 (0.40) PIK3CAMTORMAPK14LCKCDK4
SCHEMBL5050318 0.84 ALDH1A1 (0.39) PIK3CAMTORMAPK14SLC6A4SLC6A2
SCHEMBL4036260 0.84 MAPK14 (0.38) PIK3CAMTORMAPK14LCKCDK4
SCHEMBL3839596 0.83 MAPK14 (0.37) PIK3CAMTORMAPK14SLC6A4SLC6A2
SCHEMBL917926 0.79 MAPK14 (0.56) MAPK14LCKCDK4CCND1CDK6
SCHEMBL4139172 0.76 MAPK14 (0.53) MAPK14LCKCDK4CCND1CDK6
SCHEMBL916901 0.74 MAPK14 (0.52) MAPK14LCKCDK4CCND1CDK6
SCHEMBL3674451 0.74 MAPK14 (0.53) MAPK14LCKCDK4CCND1CCND3
SCHEMBL3671814 0.74 MAPK14 (0.53) MAPK14LCKCDK4CCND1CCND3

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-2066661-A2 PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-06-10 EP disclosed
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2008035316-A2 PHOSPHODIESTERASE INHIBITORS 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