SCHEMBL21167680

SCHEMBL21167680

CN/C=C(\C=N)c1cc(NC(C)=O)c(N)c(N(N)Cc2ccc3ncccc3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
ACACB O00763 1/20 0.36
USP30 Q70CQ3 1/20 0.35
MET P08581 7/20 0.34
ANO1 Q5XXA6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
KDR P35968 1/20 0.34
CCR1 P32246 2/20 0.33
PLK1 P53350 1/20 0.33
PDK1 Q15118 1/20 0.33

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
SCHEMBL21167505 0.86 HDAC3 (0.36) HDAC3ACACBUSP30METANO1
SCHEMBL22475936 0.83 KDR (0.42) HDAC3METKDR
SCHEMBL21167679 0.82 HDAC3 (0.46) HDAC3ACACBUSP30ANO1MEN1
SCHEMBL22475692 0.75 HDAC3 (0.36) HDAC3ACACBUSP30METPDK1
SCHEMBL21167813 0.73 KDR (0.39) HDAC3ANO1KDR
SCHEMBL21167486 0.73 HDAC3 (0.35) HDAC3ACACBUSP30METPDK1
SCHEMBL21167820 0.70 KDR (0.39) HDAC3KDR
SCHEMBL24591110 0.70 KDR (0.39) HDAC3KDR
SCHEMBL21171413 0.69 HDAC3 (0.33) HDAC3USP30PDK1
SCHEMBL22754434 0.68 MET (0.45) HDAC3MET

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