SCHEMBL2717092

SCHEMBL2717092

CC(C)(C)OC(=O)NCCc1nc2ccc(F)cc2c(Cl)c1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ATM Q13315 3/20 0.40
AAK1 Q2M2I8 2/20 0.40
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NQO2 P16083 1/20 0.39
CYP3A4 P08684 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
PLA2G2A P14555 1/20 0.39
CKS1B P61024 1/20 0.38

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
SCHEMBL6128776 0.93 ALDH1A1 (0.41) GNRHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2718042 0.90 PIK3CD (0.40) GNRHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2717296 0.90 GNRHR (0.43) GNRHRALDH1A1BRD4KDM4ENQO2
SCHEMBL6122986 0.89 PLA2G2A (0.44) GNRHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2716751 0.89 PIK3CD (0.42) GNRHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2716877 0.88 PIK3CD (0.46) GNRHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2717642 0.87 PIK3CD (0.49) GNRHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2719964 0.86 ALDH1A1 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL2718085 0.86 PIK3CD (0.43) GNRHRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6121709 0.86 PIK3CD (0.44) GNRHRPIK3CDALDH1A1ATMAAK1

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