SCHEMBL21167640

SCHEMBL21167640

Nc1ncc(Nc2cncc(C(=O)O)c2)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.46
KLK1 P06870 1/20 0.46
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KDR P35968 10/20 0.40
HDAC3 O15379 1/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FLT1 P17948 1/20 0.37
HDAC4 P56524 1/20 0.37
EP300 Q09472 1/20 0.37
MEF2D Q14814 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
SCHEMBL21167543 0.91 KLKB1 (0.50) KLKB1KLK1HDAC6KDRHDAC3
SCHEMBL24591055 0.90 HDAC6 (0.42) KLKB1KLK1HDAC6KDRHDAC3
SCHEMBL21167437 0.85 PIK3CA (0.42) KLKB1KLK1HDAC6KDRNPC1
SCHEMBL21167728 0.85 NPC1 (0.43) KLKB1KLK1HDAC6KDRHDAC3
SCHEMBL21167629 0.84 NPC1 (0.44) KLKB1KLK1HDAC6KDRHDAC3
SCHEMBL21167631 0.83 BACE1 (0.44) KLKB1KLK1KDRNPC1MAPT
SCHEMBL22475852 0.81 PLK1 (0.46) KLKB1KLK1HDAC6KDRNPC1
SCHEMBL21167737 0.81 NPC1 (0.41) KLKB1KLK1HDAC6KDRHDAC3
SCHEMBL21167592 0.80 NPC1 (0.42) KLKB1KLK1HDAC6KDRHDAC3
SCHEMBL21167657 0.80 NPC1 (0.42) KLKB1KLK1HDAC6KDRHDAC3

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 4 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-3795573-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR Hutchison Medipharma Limited (CN) 2021-03-24 EP disclosed
EP-3511330-B1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2020-09-30 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