SCHEMBL2716751

SCHEMBL2716751

CN(C)c1c(-c2ccccn2)c(CCNC(=O)OC(C)(C)C)nc2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
ATM Q13315 3/20 0.39
ALDH1A1 P00352 1/20 0.38
GNRHR P30968 1/20 0.38
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
NQO2 P16083 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PLA2G2A P14555 1/20 0.37
SCN9A Q15858 2/20 0.36
AAK1 Q2M2I8 1/20 0.36

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 0.90 ALDH1A1 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGCKS1B
SCHEMBL2717092 0.89 GNRHR (0.41) PIK3CDPIK3CAPIK3CBPIK3CGCKS1B
SCHEMBL2716683 0.88 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL2718042 0.88 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGCKS1B
SCHEMBL6122986 0.86 PLA2G2A (0.44) PIK3CDPIK3CAPIK3CBPIK3CGCKS1B
SCHEMBL2716877 0.85 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGCKS1B
SCHEMBL2717642 0.85 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGATM
SCHEMBL2718087 0.84 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCKS1B
SCHEMBL6121709 0.84 PIK3CD (0.44) PIK3CDCKS1BSKP1SKP2ATM
SCHEMBL2718085 0.84 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGATM

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