SCHEMBL21167734

SCHEMBL21167734

Nc1ncc(Nc2cccc(C(F)(F)F)n2)nc1NCc1ccc2ncccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
ACVR1 Q04771 6/20 0.39
CLK4 Q9HAZ1 6/20 0.39
CDK8 P49336 4/20 0.39
KIT P10721 1/20 0.39
GSK3A P49840 3/20 0.38
GSK3B P49841 3/20 0.38
NPC1 O15118 1/20 0.38
MST1R Q04912 2/20 0.37
TYRO3 Q06418 2/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
IDH2 P48735 2/20 0.36
CLK2 P49760 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
KDR P35968 4/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 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
SCHEMBL21167816 0.85 NPC1 (0.42) NPC1KLKB1KLK1KDRMET
SCHEMBL21167438 0.85 EGFR (0.41) NPC1KLKB1KLK1KDREGFR
SCHEMBL21167479 0.83 NPC1 (0.38) NPC1KLKB1KLK1KDRMET
SCHEMBL21167665 0.83 GRM5 (0.43) GRM5CLK4NPC1CLK2DYRK1B
SCHEMBL21167431 0.81 KDM4E (0.42) NPC1KLKB1KLK1KDREGFR
SCHEMBL21167629 0.80 NPC1 (0.44) NPC1KLKB1KLK1KDREGFR
SCHEMBL23128074 0.80 KDR (0.41) NPC1KLKB1KLK1KDRMET
SCHEMBL21167506 0.80 KDR (0.41) NPC1KLKB1KLK1KDRMET
SCHEMBL21167585 0.80 KDR (0.41) NPC1KLKB1KLK1KDRAURKB
SCHEMBL21167462 0.79 KDR (0.42) NPC1KLKB1KLK1KDRMET

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