SCHEMBL6993967

SCHEMBL6993967

Cc1c(Br)ccc2[nH]c(NC(=N)N)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 1/20 0.36
LCK P06239 2/20 0.36
CYP3A4 P08684 1/20 0.33
MMP12 P39900 1/20 0.33
MAOB P27338 2/20 0.32
ADORA2A P29274 2/20 0.32
RPS6KA3 P51812 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
F2 P00734 2/20 0.31
F10 P00742 2/20 0.31
PLG P00747 2/20 0.31
PLAU P00749 2/20 0.31
PLAT P00750 2/20 0.31
PRSS1 P07477 2/20 0.31

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
SCHEMBL6985345 0.85 CBFB (0.40) LCKCYP3A4MAOBADORA2ARPS6KA3
Hydrochloric Acid SCHEMBL11784418 0.84 EGLN1 (0.40) LCKCYP3A4MAOBADORA2ARPS6KA3
SCHEMBL6972586 0.77 HPSE (0.46) MAOBADORA2ANPC1RAB9AHPSE
Hydrochloric Acid SCHEMBL11786682 0.75 HPSE (0.45) MAOBADORA2ANPC1RAB9AHPSE
Hydrochloric Acid SCHEMBL11789101 0.75 HPSE (0.45) MAOBADORA2ANPC1RAB9AHPSE
SCHEMBL5924200 0.74 MAOB (0.41) LCKCYP3A4MAOBADORA2AMEN1
SCHEMBL21615514 0.71 ADRB2 (0.42) VSIRLCKRPS6KA3PARP1
SCHEMBL2946951 0.71 RAB9A (0.45) CYP3A4MAOBADORA2AMEN1NPC1
SCHEMBL6142162 0.71 PARP1 (0.43) RPS6KA3PARP1HRH4
SCHEMBL4686558 0.71 MEN1 (0.52) CYP3A4ADORA2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920314-B1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORP (US) 2003-08-27 EP disclosed
EP-0920314-A4 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORP (US) 2001-08-16 EP disclosed
US-5981551-A GRANULOCYTE COLONY-STIMULATING FACTOR MIMETICS; TREATMENT OF NEUTROPENIA SMITHKLINE BEECHAM CORPORATION (US) 1999-11-09 US disclosed
EP-0920314-A1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 1999-06-09 EP disclosed
WO-1997044033-A1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-27 WO disclosed