SCHEMBL4040628

SCHEMBL4040628

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.40
LCK P06239 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PIK3CA P42336 4/20 0.38
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38

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 0.89 MAPK14 (0.38) MAPK14LCKPIK3CACDK4CCND1
SCHEMBL5050315 0.88 PIK3CA (0.39) MAPK14LCKCYP2D6PIK3CACDK4
SCHEMBL3839596 0.88 MAPK14 (0.37) MAPK14LCKALDH1A1CYP1A2CYP2C9
SCHEMBL5050318 0.88 ALDH1A1 (0.39) MAPK14LCKALDH1A1CYP1A2CYP2C9
SCHEMBL4034535 0.86 PIK3CA (0.38) MAPK14LCKPIK3CACDK4CCND1
SCHEMBL917926 0.83 MAPK14 (0.56) MAPK14LCKCDK4CCND1CCNA2
SCHEMBL4139172 0.80 MAPK14 (0.53) MAPK14LCKCDK4CCND1CCNA2
SCHEMBL3674451 0.79 MAPK14 (0.53) MAPK14LCKCYP1A2CYP3A4CYP2D6
SCHEMBL3671814 0.79 MAPK14 (0.53) MAPK14LCKCYP1A2CYP3A4CYP2D6
SCHEMBL3677049 0.78 MAPK14 (0.64) 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-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