SCHEMBL28076642

SCHEMBL28076642

CC(C)(C)OC(=O)N1CCC(c2ccc(N)nc2)CC1c1ccc(N)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
TRPC6 Q9Y210 2/20 0.41
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
WNT3A P56704 1/20 0.40
LCK P06239 1/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
UCHL1 P09936 1/20 0.38
NR1H2 P55055 1/20 0.37
NAMPT P43490 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
HPGDS O60760 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL21245566 0.88 DDB1 (0.43) DDB1CRBNTRPC6ALOX5APFEN1
SCHEMBL30620837 0.86 ALOX5AP (0.46) ALOX5APFEN1UCHL1NPC1
SCHEMBL30476145 0.85 ALOX5AP (0.43) DDB1CRBNALOX5APFEN1UCHL1
SCHEMBL28958074 0.85 NR1H2 (0.43) DDB1CRBNLCKJAK3BTK
SCHEMBL29497122 0.82 DDB1 (0.60) DDB1CRBNTRPC6ALOX5APFEN1
SCHEMBL611718 0.82 DDB1 (0.60) DDB1CRBNTRPC6ALOX5APFEN1
SCHEMBL30519935 0.81 PDE4B (0.53) DDB1CRBNTRPC6ALOX5APFEN1
SCHEMBL29743593 0.81 PDE4B (0.53) DDB1CRBNTRPC6ALOX5APFEN1
SCHEMBL608688 0.81 PDE4B (0.53) DDB1CRBNTRPC6ALOX5APFEN1
SCHEMBL609655 0.81 PDE4B (0.53) DDB1CRBNTRPC6ALOX5APFEN1

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
CN-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 CN disclosed