SCHEMBL6057960

SCHEMBL6057960

COC(=O)C1(NC(=O)Nc2nc3ccc(C(=O)Nc4c(C)cc(C)cc4C)cc3s2)CC1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.69

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
SCHEMBL6058139 0.84 LCK (0.87) LCK
SCHEMBL6057966 0.83 LCK (0.68) LCK
SCHEMBL6057674 0.82 LCK (1.00) LCK
SCHEMBL6058249 0.81 LCK (0.69) LCK
SCHEMBL6057811 0.81 LCK (0.84) LCK
SCHEMBL6058225 0.81 LCK (0.71) LCK
SCHEMBL6058173 0.80 LCK (0.77) LCK
SCHEMBL6058027 0.80 LCK (1.00) LCK
SCHEMBL6057968 0.80 LCK (0.80) LCK
SCHEMBL6058142 0.80 LCK (1.00) 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
EP-1037632-B1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-01-11 EP claimed
US-6825355-B2 FOR THERAPY OF IMMUNOLOGIC DISORDERS SUCH AS TRANSPLANT REJECTION, RHEUMATOID ARTHRITIS. MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE, LUPUS, GRAFT VS. HOST DISEASE BRISTOL-MYERS SQUIBB CO. 2004-11-30 US claimed