SCHEMBL22475809

SCHEMBL22475809

NNc1ncc(-c2cnn(CCO)c2)nc1NCc1c[nH]c2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.60
MAPK1 P28482 1/20 0.40
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
CYP2C9 P11712 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL24591031 0.90 MET (0.61) METMAPK1CCNE1CDK2PDE3B
SCHEMBL22475696 0.76 MET (0.44) METCCNE1CDK2GPR84JAK2
SCHEMBL21167329 0.75 MET (0.67) METMAPK1CCNE1CDK2PDE3B
SCHEMBL21167443 0.75 MET (0.42) METMAPK1PDE3BPDE3ACYP2C9
SCHEMBL21167683 0.75 MET (0.47) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL12693351 0.75 MET (1.00) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24591029 0.75 MET (0.63) METMAPK1CCNE1CDK2PDE3B
SCHEMBL21167463 0.74 MET (0.43) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL12487758 0.74 MET (0.56) METMAPK1CCNE1CDK2PDE3B
SCHEMBL24591034 0.74 PIM1 (0.43) MAPK1JAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511330-B1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2020-09-30 EP disclosed