SCHEMBL4232120

SCHEMBL4232120

O=c1c2sccc2nc(CCCNc2ncnc3[nH]cnc23)n1-c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.38
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE7A Q13946 2/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4238809 0.87 PIK3CD (0.42) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL4232597 0.86 PIK3CD (0.42) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL4234577 0.84 PIK3CD (0.50) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL4236551 0.82 PIK3CD (0.43) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL5607478 0.82 PIK3CD (0.52) PIK3CD
SCHEMBL5606919 0.82 PIK3CD (0.52) PIK3CD
SCHEMBL5607707 0.79 PIK3CD (0.51) PIK3CD
SCHEMBL5606274 0.79 PIK3CD (0.44) PIK3CDALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1703509 0.78 PIK3CD (0.55) PIK3CDPDE4DPDE3A
SCHEMBL4238434 0.77 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B

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-2097422-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS Eli Lilly & Co. (US) 2009-09-09 EP disclosed
WO-2008064018-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ELI LILLY & CO. (US) 2008-05-29 WO disclosed