SCHEMBL4765741

SCHEMBL4765741

O=C(NCc1ccccc1)c1ccccc1B(O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
CHRNB2 P17787 1/20 0.64
CHRNB4 P30926 1/20 0.64
CHRNA3 P32297 1/20 0.64
CHRNA4 P43681 1/20 0.64
HPGD P15428 3/20 0.61
GAA P10253 2/20 0.61
LMNA P02545 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TP53 P04637 1/20 0.60
GLA P06280 1/20 0.60
APEX1 P27695 1/20 0.60
METAP2 P50579 1/20 0.59
NSD2 O96028 2/20 0.55
CYP2C19 P33261 2/20 0.55
SGMS2 Q8NHU3 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
HTT P42858 1/20 0.54
MEN1 O00255 2/20 0.54

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
SCHEMBL31680569 0.84 KMT2A (0.89) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11901003 0.84 KMT2A (0.89) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4744541 0.79 TSHR (0.43) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1032002 0.79 MAPK1 (0.77) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8635709 0.79 KMT2A (1.00) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1984940 0.79 KMT2A (1.00) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL791333 0.78 GAA (0.57) GAAL3MBTL1KDM4E
SCHEMBL29469069 0.78 GAA (0.57) GAAL3MBTL1KDM4E
SCHEMBL7828799 0.78 KMT2A (0.77) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1979028 0.77 KMT2A (0.71) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4

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-1979353-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2007084667-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI PHARMACEUTICAL, INC. (US) 2007-07-26 WO disclosed