SCHEMBL21167404

SCHEMBL21167404

Nc1ncc(-c2cnn(CCO)c2)nc1NCc1ccc2nccn2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.58
CSF1R P07333 1/20 0.44
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
KEAP1 Q14145 1/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TYRO3 Q06418 1/20 0.36
PAK1 Q13153 1/20 0.36
KIT P10721 1/20 0.35
EGFR P00533 1/20 0.35
SYK P43405 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
SCHEMBL21167480 0.91 MET (0.47) METCSF1RLDHALDHBKEAP1
SCHEMBL22475667 0.90 MET (0.57) METCSF1RKEAP1CYP2C9PDE3B
SCHEMBL24591043 0.89 MET (0.54) METKEAP1IKBKETBK1CYP2C9
SCHEMBL22475658 0.89 CSF1R (0.46) METCSF1RLDHALDHBKEAP1
SCHEMBL24590985 0.88 MET (0.46) METCSF1RIKBKETBK1TYRO3
SCHEMBL21167421 0.87 CSF1R (0.59) METCSF1RLDHALDHBKEAP1
SCHEMBL21167403 0.86 MET (0.56) METKEAP1CYP2C9PDE3BPDE3A
SCHEMBL24590986 0.86 MET (0.59) METCSF1RLDHALDHBKEAP1
SCHEMBL22475927 0.86 MET (0.43) METCSF1RLDHALDHBKEAP1
SCHEMBL22475713 0.86 MET (0.53) METKEAP1IKBKETBK1CYP2C9

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