SCHEMBL7981335

SCHEMBL7981335

COc1cccc2c1nc(Nc1c(C)cccc1Cl)c1cncn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 1.00

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
SCHEMBL8336575 0.86 LCK (0.77) LCK
SCHEMBL7970084 0.84 LCK (1.00) LCK
SCHEMBL7981217 0.84 LCK (1.00) LCK
SCHEMBL7969709 0.81 LCK (1.00) LCK
SCHEMBL7983469 0.81 LCK (0.85) LCK
SCHEMBL7981602 0.79 LCK (1.00) LCK
SCHEMBL4036141 0.79 LCK (0.66) LCK
SCHEMBL7980622 0.79 LCK (1.00) LCK
SCHEMBL7983808 0.79 LCK (0.80) LCK
SCHEMBL7987002 0.79 LCK (0.79) 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