SCHEMBL2717152

SCHEMBL2717152

CNC(=O)c1c(-c2ccccc2)c(CCNC(=O)OC(C)(C)C)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.43
LMNA P02545 1/20 0.42
ACACA Q13085 2/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
TACR1 P25103 2/20 0.41
IDO1 P14902 1/20 0.41
NQO2 P16083 1/20 0.41

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
SCHEMBL2719668 0.91 LMNA (0.47) ACACBMEN1NPC1GAARAB9A
SCHEMBL2716769 0.89 PIK3CD (0.43) ACACBCKS1BSKP1SKP2TACR1
SCHEMBL2717730 0.87 ADORA2A (0.41) ACACBBCHELMNACKS1BSKP1
SCHEMBL2720609 0.80 PIK3CD (0.47) ACACBCKS1BSKP1SKP2TACR1
SCHEMBL2719173 0.80 PIK3CD (0.47) ACACBMEN1GAAKMT2ACKS1B
SCHEMBL2719206 0.79 DHODH (0.46) CKS1BSKP1SKP2NQO2
SCHEMBL2718145 0.79 TACR3 (0.46) MEN1GAAKMT2ALMNATACR1
SCHEMBL2716877 0.78 PIK3CD (0.46) ACACBACACACKS1BSKP1SKP2
SCHEMBL2719177 0.78 DHODH (0.50) LMNACKS1BSKP1SKP2IDO1
SCHEMBL2717035 0.77 NQO2 (0.41) ACACBBCHECKS1BSKP1SKP2

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
EP-2445900-A2 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES Amgen, Inc (US) 2012-05-02 EP disclosed
WO-2010151740-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed