SCHEMBL5049665

SCHEMBL5049665

N#CCC1CCN(c2nc(-c3cc(F)c(Cl)cc3F)nc3ccsc23)CC1.O=C(O)c1cc2nc(-c3cc(F)c(Cl)cc3F)nc(N3CCCCCC3)c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.36
PIK3R1 P27986 1/20 0.36
SIRT2 Q8IXJ6 5/20 0.33
SIRT1 Q96EB6 5/20 0.33
SIRT3 Q9NTG7 5/20 0.33
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
NMT1 P30419 2/20 0.32
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
MTOR P42345 4/20 0.32
PRKCI P41743 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL390173 0.87 PRKCI (0.39) PIK3CAPIK3R1NMT1MTORPRKCI
Hydrochloric Acid SCHEMBL4529967 0.86 PRKCI (0.39) PIK3CAPIK3R1NMT1MTORPRKCI
SCHEMBL387027 0.83 PIK3CA (0.47) PIK3CAPIK3R1SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL4518127 0.79 RORC (0.41) PIK3CAMTORPRKCIPDE4B
SCHEMBL391776 0.79 PDE4A (0.44) PIK3CAPIK3R1KDM4ERAF1BRAF
Hydrochloric Acid SCHEMBL4518915 0.78 PDE4A (0.43) PIK3CAPIK3R1KDM4ERAF1BRAF
SCHEMBL390178 0.78 MPL (0.40) PIK3CAKDM4ENPSR1LMNARAF1
SCHEMBL390254 0.78 PRKCI (0.40) PIK3CAPIK3R1RAF1BRAFMTOR
Hydrochloric Acid SCHEMBL4508182 0.77 PRKCI (0.39) PIK3CAPIK3R1RAF1BRAFMTOR
Hydrochloric Acid SCHEMBL4518145 0.77 MPL (0.39) PIK3CAKDM4ENPSR1LMNARAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed