SCHEMBL7974556

SCHEMBL7974556

CCOC(=O)c1ccc(Nc2nc3cccc(Br)n3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RAB9A P51151 4/20 0.55
THRB P10828 1/20 0.55
PDPK1 O15530 1/20 0.51
JAK2 O60674 1/20 0.49
SLC2A1 P11166 1/20 0.49
POLB P06746 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
KDM4E B2RXH2 3/20 0.46
TP53 P04637 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL3262435 0.89 JAK2 (0.55) MEN1KMT2AJAK2RXFP1KDM4E
SCHEMBL3262347 0.82 JAK2 (0.61) RAB9ATHRBJAK2RXFP1NPC1
SCHEMBL2144680 0.81 JAK2 (0.51) MEN1KMT2AJAK2RXFP1JAK1
SCHEMBL13072986 0.81 JAK2 (0.76) MEN1KMT2ARAB9ATHRBJAK2
SCHEMBL3303680 0.81 JAK2 (0.49) JAK2JAK1
SCHEMBL7964132 0.81 JAK2 (0.49) MEN1KMT2AJAK2LMNAALDH1A1
SCHEMBL3657387 0.80 JAK2 (0.61) MEN1KMT2ARAB9ATHRBJAK2
SCHEMBL3261713 0.79 JAK1 (0.64) KMT2AJAK2POLBLMNASMN1; SMN2
SCHEMBL23754204 0.77 ADORA3 (0.49) KMT2AALDH1A1HTTL3MBTL1CYP1A2
SCHEMBL12253193 0.76 MEN1 (0.83) MEN1KMT2ARAB9ATHRBPDPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010010188-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2010-01-28 WO disclosed