SCHEMBL7969602

SCHEMBL7969602

CCCCCC(=O)Nc1ccc2nc(Nc3c(C)cccc3C)c3cncn3c2c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.65
LYN P07948 2/20 0.51
BTK Q06187 2/20 0.51

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
SCHEMBL7986693 0.94 LCK (0.75) LCKLYNBTK
SCHEMBL7983305 0.88 LCK (0.75) LCK
SCHEMBL7982054 0.87 LCK (0.65) LCKLYNBTK
SCHEMBL7983068 0.85 LCK (0.67) LCKLYNBTK
SCHEMBL7979865 0.85 LCK (0.87) LCK
SCHEMBL7970171 0.84 LCK (0.66) LCKLYNBTK
SCHEMBL7970457 0.82 LCK (0.75) LCKLYNBTK
SCHEMBL7981396 0.79 LCK (0.76) LCKLYNBTK
Hydrochloric Acid SCHEMBL7983965 0.79 LCK (0.74) LCK
SCHEMBL7987227 0.79 LCK (1.00) 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 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