SCHEMBL8070472

SCHEMBL8070472

COc1cccc2nc(-c3cccs3)nc(O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 3/20 0.58
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
FLT3 P36888 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ADORA3 P0DMS8 2/20 0.48
RPS6KB2 Q9UBS0 2/20 0.47
KDM4E B2RXH2 6/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL8070655 0.84 XPO1 (0.58) XPO1IKBKBCHUKJUNNFKB1
SCHEMBL8070557 0.82 MAPT (0.43) XPO1IKBKBCHUKJUNNFKB1
SCHEMBL8070477 0.79 MAPT (0.45) XPO1RPS6KB2KDM4EMAPTLMNA
SCHEMBL8059496 0.79 PDE5A (0.42) XPO1RPS6KB2KDM4EMAPTLMNA
SCHEMBL8070339 0.78 RPS6KB2 (0.57) XPO1ADORA3RPS6KB2KDM4EMAPT
SCHEMBL8073660 0.78 KDM4E (0.44) XPO1ADORA3RPS6KB2KDM4EMAPT
SCHEMBL7304349 0.77 RAB9A (0.47) XPO1NFKB1NFKB2RELAADORA3
SCHEMBL6025660 0.76 ALDH1A1 (0.51) KDM4EMAPTLMNAALDH1A1MEN1
SCHEMBL28320598 0.75 ALDH1A1 (0.50) KDM4EMAPTLMNAALDH1A1MEN1
SCHEMBL16011941 0.75 ALDH1A1 (0.53) KDM4EMAPTLMNAALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150372-A IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES; BLOCKING INTRACELLULAR SIGNAL TRANSDUCTION AND ACTIVATION OF TRANSCRIPTION FACTORS; KINASE INHIBITORS; ANTIARTHRITIC, ISCHEMIC AGENTS, MULTIPLE SCLEROSIS, TRANSPLANT REJECTION SIGNAL PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5939421-A TREATMENT OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, TRANSPLANT REJECTION; INHIBIT KINASE(S) THAT REGULATE ACTIVATION OF TRANSCRIPTION FACTORS TO PREVENT PRODUCTION OF INFLAMMATORY PROTEINS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-17 US disclosed
WO-1999001441-A1 QUINAZOLINE ANALOGS AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1999-01-14 WO disclosed