SCHEMBL7983625

SCHEMBL7983625

Cc1cc(C)c(-c2ncc3c(N)nc4cccc(N)c4n23)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.38
LCK P06239 2/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
CYP1A2 P05177 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NCF1 P14598 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FGFR1 P11362 1/20 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
SCHEMBL7970134 0.92 LCK (0.43) TLR7LCKNOS3NOS1NOS2
SCHEMBL7980333 0.92 TLR7 (0.34) TLR7LCKFGFR1
SCHEMBL7981163 0.86 TLR7 (0.35) TLR7LCKFGFR1
SCHEMBL7979909 0.85 TLR7 (0.34) TLR7LCK
SCHEMBL7987234 0.80 TLR7 (0.38) TLR7LCKADORA2ANUDT1
SCHEMBL7981412 0.73 LCK (0.40) TLR7LCKNOS3NOS1NOS2
SCHEMBL8472487 0.69 LCK (0.41) TLR7LCKNPC1RAB9AALDH1A1
SCHEMBL8469307 0.67 LCK (0.44) TLR7LCKNPC1RAB9AALDH1A1
SCHEMBL7983002 0.66 LCK (0.46) TLR7LCKNPC1RAB9AMEN1
SCHEMBL7981250 0.63 PDE2A (0.40) TLR7LCKFGFR1

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-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US claimed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed