SCHEMBL15833799

SCHEMBL15833799

COCc1ccc(I)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
APP P05067 6/20 0.38
S1PR4 O95977 1/20 0.34
ATM Q13315 4/20 0.32
KDR P35968 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ATR Q13535 2/20 0.32
LMNA P02545 1/20 0.32
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
CYP3A4 P08684 1/20 0.30
IDO1 P14902 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL19313495 0.80 PDE2A (0.34) APP
SCHEMBL6936507 0.80 P2RX7 (0.34) APP
SCHEMBL19313511 0.77 TLR7 (0.34) KCNH2HRH3
SCHEMBL12141414 0.77 SYK (0.47) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL1532884 0.77 ESR1 (0.50) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL15986833 0.76 CYP1A2 (0.32) APPCYP3A4
SCHEMBL1022641 0.76
SCHEMBL24667797 0.75 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL12141412 0.75 S1PR4 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL19432655 0.75 MBOAT4 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015010078-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2015-01-22 WO disclosed
WO-2015010049-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2015-01-22 WO disclosed
WO-2014172044-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-10-23 WO disclosed
WO-2014144747-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2014-09-18 WO disclosed
WO-2014100665-A1 1,4-PYRIDONE BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2014-06-26 WO disclosed