SCHEMBL2472898

SCHEMBL2472898

COC(=O)c1cc(Br)nc(-c2cccc(OC)n2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
NR4A2 P43354 1/20 0.40
DHODH Q02127 1/20 0.40
BTK Q06187 1/20 0.39
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.37
CFTR P13569 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
TGFBR1 P36897 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TGFBR2 P37173 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL139274 0.78 L3MBTL1 (0.41) L3MBTL1KDM4EPOLBALDH1A1CFTR
SCHEMBL139273 0.77 MKNK1 (0.45) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL109071 0.75 CA12 (0.42) L3MBTL1KDM4EPOLBALDH1A1HSD17B10
SCHEMBL139223 0.75 MAPT (0.47) L3MBTL1KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL111300 0.75 ALDH1A1 (0.41) L3MBTL1DHODHKDM4EALDH1A1GAA
SCHEMBL23958640 0.74 LMNA (0.49) L3MBTL1DHODHKDM4EALDH1A1HSD17B10
SCHEMBL110319 0.74 MAPT (0.48) L3MBTL1DHODHCNR1KDM4EPOLB
SCHEMBL143872 0.73 KDM4E (0.46) L3MBTL1KDM4EPOLBALDH1A1CFTR
SCHEMBL31264183 0.73 KDM4E (0.46) L3MBTL1KDM4EPOLBALDH1A1CFTR
SCHEMBL110248 0.72 KDM4E (0.42) L3MBTL1CNR1KDM4EPOLBALDH1A1

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-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed