SCHEMBL7986998

SCHEMBL7986998

CCNC(=O)c1ncc2c(N(C(=O)OC(C)(C)C)c3c(C)cccc3Cl)nc3cc(OC)c(OC)cc3n12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.48
BRD4 O60885 11/20 0.37
PDE2A O00408 2/20 0.34
PGK1 P00558 1/20 0.33
KDR P35968 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL7986958 0.87 LCK (0.44) LCKBRD4
SCHEMBL7987020 0.87 LCK (0.44) LCKBRD4
SCHEMBL7983073 0.84 LCK (0.57) LCKBRD4
SCHEMBL7984171 0.83 LCK (0.44) LCKBRD4
SCHEMBL7984167 0.83 LCK (0.44) LCKBRD4
SCHEMBL7981417 0.83 LCK (0.45) LCKBRD4
SCHEMBL7980656 0.83 LCK (0.48) LCKBRD4
SCHEMBL7984150 0.82 LCK (0.47) LCKBRD4
SCHEMBL7983009 0.79 LCK (0.53) LCK
SCHEMBL7969959 0.77 LCK (0.74) LCKBRD4

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