SCHEMBL7987234

SCHEMBL7987234

Cc1ccc(C(C)C)c(C)c1-c1ncc2c(N)nc3cccc(N)c3n12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.38
LCK P06239 1/20 0.34
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HRH2 P25021 1/20 0.30
ADRA1D P25100 1/20 0.30
HTR2A P28223 1/20 0.30
ADORA2A P29274 1/20 0.30
ADRA1A P35348 1/20 0.30
NUDT1 P36639 1/20 0.30
HTR2B P41595 1/20 0.30
PDE4D Q08499 1/20 0.30
KCNH2 Q12809 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
SCHEMBL7970134 0.84 LCK (0.43) TLR7LCKADORA2A
SCHEMBL7983625 0.80 TLR7 (0.38) TLR7LCKADORA2ANUDT1
SCHEMBL7979909 0.80 TLR7 (0.34) TLR7LCK
SCHEMBL7981163 0.76 TLR7 (0.35) TLR7LCK
SCHEMBL7980333 0.76 TLR7 (0.34) TLR7LCK
SCHEMBL7987236 0.64 LCK (0.36) LCK
SCHEMBL7981412 0.64 LCK (0.40) TLR7LCKLMNAPOLB
SCHEMBL8472487 0.60 LCK (0.41) TLR7LCKLMNA
SCHEMBL7983002 0.60 LCK (0.46) TLR7LCK
SCHEMBL7969762 0.60 LCK (0.46) TLR7LCK

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