SCHEMBL21167679

SCHEMBL21167679

CC(=O)Nc1cc(Cl)nc(N(N)Cc2ccc3ncccc3c2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
ACACB O00763 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CCR1 P32246 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX5 P09917 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
FCER2 P06734 1/20 0.37
PDK1 Q15118 1/20 0.37
ALOX15 P16050 1/20 0.37
PLK1 P53350 1/20 0.37
GLS O94925 1/20 0.37

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
SCHEMBL21167680 0.82 HDAC3 (0.40) HDAC3ACACBMEN1KMT2AHDAC1
SCHEMBL20499792 0.82 DOT1L (0.48) HDAC3MEN1KMT2AHDAC1HDAC2
SCHEMBL12544218 0.81 HDAC3 (0.47) HDAC3ACACBMEN1KMT2AHDAC1
SCHEMBL22475688 0.74 HDAC3 (0.42) HDAC3ACACBHDAC1HDAC2PDK1
SCHEMBL28093001 0.72 HDAC3 (0.41) HDAC3ACACBMEN1KMT2ANPC1
SCHEMBL12544453 0.71 MET (0.53)
SCHEMBL2195228 0.70 ALOX5 (0.42) HDAC3ACACBMEN1KMT2AALOX5
SCHEMBL18711465 0.69 USP30 (0.53) HDAC3ACACBMEN1KMT2ANPC1
SCHEMBL22754434 0.69 MET (0.45) HDAC3
SCHEMBL21167505 0.68 HDAC3 (0.36) HDAC3ACACBMEN1KMT2AHTT

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-3795573-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 EP disclosed
EP-3511330-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed