SCHEMBL2719787

SCHEMBL2719787

COc1c(-c2ccccc2)c(CCBr)nc2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRNP P04156 2/20 0.42
TACR3 P29371 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
PLA2G2A P14555 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAK O14976 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
SCHEMBL2720959 0.86 DHODH (0.49) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1694918 0.82 DHODH (0.39) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2718664 0.81 SMN1; SMN2 (0.44) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2717879 0.81 POLB (0.42) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2717114 0.81 DHODH (0.57) DHODHPRNPTACR3PLA2G2A
SCHEMBL2719340 0.81 DHODH (0.46) DHODHPRNPPOLBMAPTMEN1
SCHEMBL2717134 0.78 PDE5A (0.42) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2721075 0.77 SMN1; SMN2 (0.43) DHODHALDH1A1HPGDKDM4E
SCHEMBL2719785 0.77 PIK3CD (0.56) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2718353 0.75 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CG

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