SCHEMBL28037357

SCHEMBL28037357

CC(C)(C)OC(=O)N1CCCC(CN(C(=O)OC(C)(C)C)c2ccc(N)nc2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.51
ALOX5AP P20292 5/20 0.51
BACE1 P56817 2/20 0.47
ACKR3 P25106 1/20 0.47
CTSD P07339 1/20 0.47
CYP2C9 P11712 1/20 0.41
IRAK1 P51617 1/20 0.41
CHEK2 O96017 1/20 0.41
GLS O94925 1/20 0.40
BCHE P06276 2/20 0.40
HTR6 P50406 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
HPGDS O60760 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL15034627 0.93 FEN1 (0.51) FEN1ALOX5APBACE1ACKR3CTSD
SCHEMBL28037370 0.88 ALOX5AP (0.47) FEN1ALOX5APBACE1
SCHEMBL28265325 0.85 NR1D1 (0.42) FEN1ALOX5APBACE1ACKR3CTSD
SCHEMBL29119904 0.82 ALOX5AP (0.47) FEN1ALOX5APBACE1ACKR3CTSD
SCHEMBL30218474 0.82 ALOX5AP (0.47) FEN1ALOX5APBACE1ACKR3CTSD
SCHEMBL30218114 0.82 ALOX5AP (0.47) FEN1ALOX5APBACE1ACKR3CTSD
SCHEMBL29119906 0.82 ALOX5AP (0.47) FEN1ALOX5APBACE1ACKR3CTSD
SCHEMBL22544369 0.81 PKM (0.38) FEN1ALOX5APFNTAFNTB
SCHEMBL28266724 0.79 MTOR (0.38) FEN1ALOX5AP
SCHEMBL22544386 0.77 PIK3CA (0.38) FEN1ALOX5AP

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
CN-105153119-B Pyridine pyrimidinamine compound or pyridine pyridyl amine compound and its application 广州必贝特医药技术有限公司 2019-01-01 CN disclosed
CN-105153119-A Pyridylpyrimidyl amine compounds or pyridylpyridyl amine compounds and application thereof GUANGZHOU KEQIN NEW MEDICINE DESIGN CO LTD 2015-12-16 CN disclosed