SCHEMBL7623796

SCHEMBL7623796

Cc1cccc(CCO)c1NC(=O)c1ccc2nc(OC(N)=O)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
FYN P06241 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL7631048 0.89 LCK (0.61) LCKFYNSRC
SCHEMBL7628467 0.85 LCK (0.67) LCKFYNSRC
SCHEMBL6057711 0.83 LCK (0.67) LCKMEN1KMT2AFYNSRC
SCHEMBL7629155 0.81 LCK (0.47) LCKMEN1KMT2A
SCHEMBL7631046 0.81 LCK (0.70) LCK
SCHEMBL7626085 0.80 LCK (0.49) LCK
SCHEMBL7626181 0.79 LCK (0.62) LCK
SCHEMBL7626952 0.79 RAB9A (0.55) LCKMEN1KMT2A
SCHEMBL7624309 0.79 ALDH1A1 (0.52) LCK
SCHEMBL7632108 0.77 LCK (0.64) 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