SCHEMBL4767293

SCHEMBL4767293

CC(C)NC(=O)COc1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.46
HCRTR1 O43613 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL21349076 0.84 SMN1; SMN2 (0.72) HSD17B10LMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL1018491 0.83 KMT2A (0.54) HSD17B10LMNASMN1; SMN2TP53CYP3A4
SCHEMBL18343123 0.82 HSD17B10 (0.78) HSD17B10LMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL21348646 0.82 FFAR1 (0.55) HSD17B10LMNAL3MBTL1SMN1; SMN2RECQL
SCHEMBL8251623 0.82 SMN1; SMN2 (0.62) HSD17B10LMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL21217871 0.81 HSD17B10 (0.56) HSD17B10LMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL10272937 0.81 SMN1; SMN2 (0.58) HSD17B10LMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL10765557 0.81 SMN1; SMN2 (0.63) HSD17B10LMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL10224883 0.81 HSD17B10 (0.50) HSD17B10LMNAL3MBTL1SMN1; SMN2RECQL
SCHEMBL14885455 0.81 RAB9A (0.62) SMN1; SMN2TP53CYP3A4KMT2AMEN1

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-1948659-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-30 EP disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed