SCHEMBL7980239

SCHEMBL7980239

CC(C)(C)c1ccc(Nc2nc3ccccc3n3cncc23)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.74
NPC1 O15118 1/20 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
SCHEMBL7970482 0.87 LCK (0.69) LCK
SCHEMBL7981469 0.85 LCK (1.00) LCKNPC1
SCHEMBL7982170 0.85 LCK (0.79) LCKNPC1
SCHEMBL7983596 0.84 LCK (0.74) LCK
SCHEMBL7969723 0.83 LCK (0.69) LCK
SCHEMBL7979977 0.83 LCK (0.68) LCK
SCHEMBL7979866 0.82 LCK (1.00) LCK
SCHEMBL7983397 0.80 LCK (0.71) LCKNPC1
SCHEMBL7969573 0.79 LCK (0.67) LCK
SCHEMBL7983093 0.79 LCK (0.75) 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 claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed