SCHEMBL10125005

SCHEMBL10125005

COBNc1ccc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
BRD4 O60885 2/20 0.34
ACVR1 Q04771 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
POLB P06746 1/20 0.31
ALDH3A1 P30838 1/20 0.31
HTT P42858 1/20 0.31
NOD1 Q9Y239 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12346596 0.83 L3MBTL1 (0.43) L3MBTL1BRD4ACVR1PKMCYP2C19
SCHEMBL12346678 0.83 L3MBTL1 (0.44) L3MBTL1BRD4PKMPIK3C3POLB
SCHEMBL14494739 0.82 L3MBTL1 (0.43) L3MBTL1BRD4PKMCYP2C19RAPGEF4
SCHEMBL12346617 0.82 L3MBTL1 (0.40) L3MBTL1BRD4CYP2C19PIK3C3MEN1
SCHEMBL10125007 0.81 L3MBTL1 (0.44) L3MBTL1BRD4ACVR1PKMPIK3C3
SCHEMBL16380561 0.80 L3MBTL1 (0.40) L3MBTL1BRD4PIK3C3POLBMEN1
SCHEMBL10125001 0.80 L3MBTL1 (0.49) L3MBTL1BRD4PKMCYP2C19RAPGEF4
SCHEMBL2237896 0.78 L3MBTL1 (0.62) L3MBTL1BRD4PKMCYP2C19RAPGEF4
SCHEMBL8240504 0.77 L3MBTL1 (0.46) L3MBTL1BRD4PKMCYP2C19RAPGEF4
SCHEMBL1779961 0.72 L3MBTL1 (0.57) L3MBTL1BRD4PKMCYP2C19RAPGEF4

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
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed