SCHEMBL21167665

SCHEMBL21167665

COc1cccc(Nc2cnc(N)c(NCc3ccc4ncccc4c3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
KDR P35968 6/20 0.38
TGFBR1 P36897 1/20 0.38
BRAF P15056 1/20 0.38
NPC1 O15118 1/20 0.38
HSPA5 P11021 1/20 0.37
HSPA8 P11142 1/20 0.37
PDE10A Q9Y233 1/20 0.37
HDAC1 Q13547 1/20 0.37
EGFR P00533 1/20 0.37
MET P08581 1/20 0.36
BACE1 P56817 2/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL21167825 0.91 BACE1 (0.40) GRM5KDRBRAFNPC1HSPA5
SCHEMBL24591077 0.90 GRM5 (0.42) GRM5KDRTGFBR1BRAFNPC1
SCHEMBL21167442 0.86 PIK3CA (0.42) KDRBRAFNPC1HDAC1BACE1
SCHEMBL21167525 0.86 BRAF (0.41) KDRTGFBR1BRAFNPC1HSPA5
SCHEMBL21167816 0.85 NPC1 (0.42) KDRNPC1METMAPT
SCHEMBL21167725 0.85 KDR (0.44) KDRBRAFNPC1PDE10AEGFR
SCHEMBL21167470 0.85 PDE10A (0.42) GRM5KDRBRAFNPC1HSPA5
SCHEMBL21167479 0.83 NPC1 (0.38) KDRNPC1HSPA5HSPA8MET
SCHEMBL21167734 0.83 GRM5 (0.41) GRM5KDRNPC1EGFRMET
SCHEMBL23128074 0.82 KDR (0.41) KDRNPC1PDE10AMET

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