SCHEMBL7629680

SCHEMBL7629680

COc1ccc(C(=O)CCNc2nc3ccc(C(=O)Nc4c(C)cccc4C)cc3s2)c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.54
FYN P06241 1/20 0.49
SRC P12931 1/20 0.49

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
SCHEMBL7632397 0.93 LCK (0.56) LCK
SCHEMBL7631786 0.84 LCK (0.61) LCKFYNSRC
SCHEMBL7635041 0.83 LCK (0.59) LCK
SCHEMBL7634347 0.82 LCK (0.63) LCKFYNSRC
SCHEMBL6058156 0.81 LCK (0.59) LCKFYNSRC
SCHEMBL7629566 0.78 SCD (0.59) LCK
SCHEMBL7625921 0.78 LCK (0.60) LCKFYNSRC
SCHEMBL7622227 0.77 LCK (0.71) LCKFYNSRC
SCHEMBL6057943 0.77 LCK (0.66) LCKFYNSRC
SCHEMBL7626148 0.76 LCK (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037632-A4 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-08-21 EP disclosed
EP-1037632-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-27 EP disclosed
WO-1999024035-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 WO disclosed