SCHEMBL5052071

SCHEMBL5052071

Fc1cc(-c2nc(N3C[CH]NCC3)c3sccc3n2)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.38
MTOR P42345 7/20 0.37
HTR2C P28335 1/20 0.37
PIK3C2B O00750 1/20 0.36
CCNE2 O96020 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
KDR P35968 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKCI P41743 4/20 0.35
PIK3R1 P27986 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL389433 0.88 HTR2C (0.50) PIK3CAMTORHTR2CPIK3C2BCCNE2
Hydrochloric Acid SCHEMBL4519773 0.87 HTR2C (0.49) PIK3CAMTORHTR2CPIK3C2BCCNE2
SCHEMBL391776 0.83 PDE4A (0.44) PIK3CAMTORHTR2CPIK3C2BCCNE2
SCHEMBL3740259 0.83 PDE4A (0.38) PIK3CAMTORPIK3C2BCCNE2PRKACA
Hydrochloric Acid SCHEMBL4530878 0.82 PRKCI (0.40) PIK3CAMTORHTR2CPIK3C2BCCNE2
Hydrochloric Acid SCHEMBL4518915 0.82 PDE4A (0.43) PIK3CAMTORHTR2CPIK3C2BCCNE2
SCHEMBL4517579 0.82 PIK3CA (0.43) PIK3CAMTORHTR2CPIK3C2BCCNE2
SCHEMBL388490 0.81 PIK3CA (0.41) PIK3CAMTORHTR2CPIK3C2BCCNE2
SCHEMBL390110 0.80 PRKCI (0.43) PIK3CAMTORPIK3C2BCCNE2PRKACA
Hydrochloric Acid SCHEMBL4508396 0.80 PIK3CA (0.41) PIK3CAMTORHTR2CPIK3C2BCCNE2

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