SCHEMBL21167393

SCHEMBL21167393

Nc1ncc(-c2cnn(CC(F)(F)F)c2)nc1NCc1ccc2nccn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.44
CSF1R P07333 1/20 0.41
TYRO3 Q06418 1/20 0.38
PIK3CD O00329 4/20 0.33
PIK3CG P48736 4/20 0.33
PIK3CB P42338 3/20 0.33
MTOR P42345 3/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR3 P22607 2/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
PIM1 P11309 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32

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
SCHEMBL24591003 0.87 MET (0.42) METTYRO3HDAC1HDAC8HDAC6
SCHEMBL21167681 0.86 CSF1R (0.43) METCSF1RTYRO3FGFR1FGFR3
SCHEMBL24591001 0.84 CSF1R (0.58) METCSF1RFGFR1FGFR2FGFR3
SCHEMBL24590999 0.83 MET (0.44) METCSF1RTYRO3PIK3CDPIK3CG
SCHEMBL24590986 0.83 MET (0.59) METCSF1RTYRO3PIK3CDPIK3CG
SCHEMBL21167754 0.78 MET (0.60) METCSF1RTYRO3PIK3CDPIK3CG
SCHEMBL17425926 0.77 MET (0.49) METTYRO3PIM1PIM3PIM2
SCHEMBL21167368 0.76 MET (0.39) METCSF1RTYRO3PIK3CDMTOR
SCHEMBL12487546 0.74 MET (0.73) MET
SCHEMBL21167677 0.74 MET (0.55) METCSF1RFGFR3KDR

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 3 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-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