SCHEMBL8257201

SCHEMBL8257201

BCc1ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
AAK1 Q2M2I8 2/20 0.37
SSTR4 P31391 1/20 0.36
PDPK1 O15530 1/20 0.34
CYP17A1 P05093 1/20 0.33
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP30 Q70CQ3 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
P2RX3 P56373 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
F2 P00734 1/20 0.30
ATR Q13535 1/20 0.30
TBK1 Q9UHD2 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
SCHEMBL27047963 0.87 SYK (0.46) SYKAAK1SSTR4PDPK1CYP17A1
SCHEMBL13302742 0.86 SYK (0.43) SYKAAK1SSTR4PDPK1CYP17A1
SCHEMBL8258382 0.86 LOXL2 (0.42) SYKSSTR4
SCHEMBL959129 0.86 SYK (0.41) SYKAAK1SSTR4PDPK1CYP17A1
SCHEMBL13302725 0.86 SYK (0.41) SYKAAK1SSTR4PDPK1CYP17A1
SCHEMBL13302714 0.85 SYK (0.43) SYKAAK1SSTR4PDPK1CYP17A1
SCHEMBL13302743 0.83 SYK (0.39) SYKAAK1SSTR4PDPK1USP30
SCHEMBL21999429 0.81 SYK (0.40) SYKAAK1SSTR4PDPK1SMN1; SMN2
SCHEMBL14510524 0.80 SYK (0.40) SYKAAK1SSTR4PDPK1
SCHEMBL3335527 0.80 NPC1 (0.49) SYKAAK1SSTR4PDPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 WO disclosed