SCHEMBL27792007

SCHEMBL27792007

N#CC(CO)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CCR1 P32246 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 1/20 0.41
KCNA5 P22460 6/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
SCN5A Q14524 1/20 0.39
KCND3 Q9UK17 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KCNE1 P15382 2/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL10632634 0.81 SMN1; SMN2 (0.53) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL10984015 0.81 GAA (0.45) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL21632089 0.80 SMN1; SMN2 (0.51) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL11226593 0.79 SMN1; SMN2 (0.47) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL3470626 0.79 GRIN2D (0.45) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL11713360 0.77 SMN1; SMN2 (0.49) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL27925029 0.77 SMN1; SMN2 (0.46) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL27779093 0.77 CCR1 (0.48) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL16999005 0.77 TSHR (0.62) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL21632100 0.77 SMN1; SMN2 (0.49) SMN1; SMN2MEN1GAAKMT2ACCR1

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
CN-101652363-B Thiazolyl compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-04-17 CN disclosed
CN-101652363-A Thiazolyl compounds as kinase inhibitor SQUIBB BRISTOL MYERS CO US 2010-02-17 CN disclosed