SCHEMBL7981095

SCHEMBL7981095

COc1cc2c(cc1Br)nc(N(C(=O)OC(C)(C)C)c1c(F)cccc1Cl)c1cncn12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.42
LYN P07948 3/20 0.34
BTK Q06187 3/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL7981461 0.91 LCK (0.46) LCK
SCHEMBL7981177 0.88 LCK (0.46) LCKLYNBTK
SCHEMBL7983009 0.85 LCK (0.53) LCKLYNBTK
SCHEMBL7979983 0.80 LCK (0.45) LCKLYNBTK
SCHEMBL7969753 0.78 LCK (0.51) LCKLYNBTK
SCHEMBL7969939 0.75 LCK (0.44) LCKLYNBTK
SCHEMBL7983392 0.74 LCK (0.52) LCKLYNBTK
SCHEMBL7986958 0.72 LCK (0.44) LCK
SCHEMBL7987020 0.72 LCK (0.44) LCK
SCHEMBL7983073 0.69 LCK (0.57) LCK

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