SCHEMBL7983392

SCHEMBL7983392

Cc1cccc(Cl)c1N(C(=O)OC(C)(C)C)c1nc2cc(OCCN3CCOCC3)c(Br)cc2n2cncc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.52
LYN P07948 2/20 0.40
BTK Q06187 2/20 0.40
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SRC P12931 1/20 0.37
POLB P06746 2/20 0.36
EGFR P00533 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
QPCT Q16769 1/20 0.34

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
SCHEMBL7981896 0.88 LCK (0.48) LCKLYNBTKSRCPOLB
SCHEMBL7981177 0.85 LCK (0.46) LCKLYNBTK
SCHEMBL7981461 0.82 LCK (0.46) LCK
SCHEMBL7983009 0.80 LCK (0.53) LCKLYNBTK
SCHEMBL7969753 0.79 LCK (0.51) LCKLYNBTK
SCHEMBL7983539 0.74 LCK (0.53) LCKALDH1A1MAPTHTTSRC
SCHEMBL7981095 0.74 LCK (0.42) LCKLYNBTK
SCHEMBL7979983 0.73 LCK (0.45) LCKLYNBTK
SCHEMBL7981749 0.71 LCK (0.74) LCKLYNBTK
SCHEMBL7983711 0.71 LCK (0.94) LCKSRC

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 1 patent. 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