SCHEMBL7981715

SCHEMBL7981715

Cc1cccc(Cl)c1Nc1nc2cc(NC(=O)CCCNC(=O)OC(C)(C)C)ccc2n2cncc12

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.66

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
SCHEMBL7983305 0.86 LCK (0.75) LCK
Hydrochloric Acid SCHEMBL7983965 0.85 LCK (0.74) LCK
SCHEMBL7986888 0.80 LCK (1.00) LCK
SCHEMBL7986693 0.80 LCK (0.75) LCK
SCHEMBL7970457 0.79 LCK (0.75) LCK
SCHEMBL7981396 0.78 LCK (0.76) LCK
SCHEMBL7984016 0.76 LCK (0.68) LCK
SCHEMBL8470018 0.75 LCK (0.87) LCK
SCHEMBL7987227 0.75 LCK (1.00) LCK
SCHEMBL7981424 0.74 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