SCHEMBL27765862

SCHEMBL27765862

O=C(c1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc2nc(-c3ccccc3)[nH]c2c1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 8/20 0.78
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
HDAC3 O15379 1/20 0.71
HDAC1 Q13547 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
PLAU P00749 1/20 0.69
PRSS1 P07477 1/20 0.69
ESR1 P03372 1/20 0.65
NR4A2 P43354 1/20 0.63
PKM P14618 1/20 0.63
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
HPGD P15428 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ABL1 P00519 1/20 0.62
FABP6 P51161 1/20 0.62

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
SCHEMBL2243148 0.97 CHEK2 (0.80) CHEK2MEN1KMT2AHDAC3HDAC1
SCHEMBL3178116 0.91 CHEK2 (0.78) CHEK2KMT2AHDAC3HDAC1HDAC8
SCHEMBL5675969 0.88 CHEK2 (0.81) CHEK2MEN1KMT2AHDAC3HDAC1
SCHEMBL19982678 0.88 CHEK2 (0.74) CHEK2MEN1KMT2AHDAC3HDAC1
SCHEMBL19994499 0.88 CHEK2 (0.79) CHEK2MEN1KMT2AESR1PKM
SCHEMBL19994652 0.88 CHEK2 (0.79) CHEK2MEN1KMT2AESR1PKM
SCHEMBL9308135 0.86 CHEK2 (0.68) CHEK2NR4A2
SCHEMBL5679988 0.86 CHEK2 (1.00) CHEK2
SCHEMBL18237054 0.85 HDAC6 (0.95) CHEK2HDAC3HDAC1HDAC8HDAC6
SCHEMBL34467256 0.85 CHEK2 (0.64) CHEK2MEN1KMT2AHDAC3HDAC1

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
CN-101420950-B Treatment of duchenne muscular dystrophy SUMMIT CORP PLC 2012-04-18 CN disclosed
CN-101678107-A Pharmaceutical composition for treating Duchenne muscular dystrophy SUMMIT CORP PLC 2010-03-24 CN disclosed
CN-101420950-A Treatment of Duchenne muscular dystrophy SUMMIT CORP PLC (GB) 2009-04-29 CN disclosed