SCHEMBL4531447

SCHEMBL4531447

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccc5nccnc5c4)CC2)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.44
HPGD P15428 2/20 0.41
GPR119 Q8TDV5 2/20 0.36
CYP3A4 P08684 1/20 0.36
SLC9A1 P19634 1/20 0.36
PTGS2 P35354 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
NAMPT P43490 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CCR3 P51677 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
SCHEMBL4353588 0.88 PIK3CA (0.43) PIK3CAGPR119CYP3A4SLC9A1NAMPT
SCHEMBL4349922 0.85 PTPN2 (0.43) PIK3CACYP3A4SLC9A1
SCHEMBL4537918 0.85 PTPN2 (0.43) PIK3CACYP3A4SLC9A1
SCHEMBL4356473 0.85 PTPN2 (0.43) PIK3CACYP3A4SLC9A1
SCHEMBL4347963 0.85 NPC1 (0.46) PIK3CAHPGDPTGS2
SCHEMBL4535480 0.84 LMNA (0.42) PIK3CAGPR119CYP3A4NAMPTUSP30
SCHEMBL4356151 0.83 GAA (0.42) PIK3CAGPR119SLC9A1
SCHEMBL4347838 0.83 NAMPT (0.44) PIK3CAGPR119CYP3A4SLC9A1NAMPT
SCHEMBL4347925 0.82 USP30 (0.40) PIK3CAGPR119PTGS2USP30
SCHEMBL13586033 0.82 LMNA (0.45) PIK3CASLC9A1NAMPT

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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed