SCHEMBL21167751

SCHEMBL21167751

Nc1ncc(-c2cn[nH]c2)nc1NCc1ccn2nccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.43
LDHB P07195 2/20 0.43
CSF1R P07333 1/20 0.40
MET P08581 5/20 0.38
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
AKT1 P31749 2/20 0.35
AKT2 P31751 2/20 0.35
AKT3 Q9Y243 2/20 0.35
MAPK1 P28482 2/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
ROCK2 O75116 2/20 0.34
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33

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
SCHEMBL21167667 0.84 LDHA (0.44) LDHALDHBCSF1RMETMKNK1
SCHEMBL21167601 0.82 CSF1R (0.40) LDHALDHBCSF1RMETCCNK
SCHEMBL21167565 0.82 CSF1R (0.62) LDHALDHBCSF1RMETMAPK1
SCHEMBL21167458 0.80 LDHA (0.43) LDHALDHBCSF1RMETPIK3CD
SCHEMBL21167831 0.80 LDHA (0.38) LDHALDHBCSF1RMETPIK3CD
SCHEMBL21167564 0.79 MET (0.59) LDHALDHBCSF1RMETIKBKE
SCHEMBL21167473 0.79 MET (0.47) LDHALDHBCSF1RMETPIK3CD
SCHEMBL24591021 0.78 MET (0.44) LDHALDHBCSF1RMETPIK3CD
SCHEMBL21167754 0.78 MET (0.60) LDHALDHBCSF1RMETPIK3CD
SCHEMBL31030392 0.71 SCN5A (0.51) AKT1AKT2PIK3CDROCK2PIM1

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-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