SCHEMBL21167667

SCHEMBL21167667

Nc1ncc(-c2ccc(F)cc2)nc1NCc1ccn2nccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
CSF1R P07333 2/20 0.41
MET P08581 3/20 0.39
ATR Q13535 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
SYK P43405 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
WNT3A P56704 1/20 0.35
MAPK13 O15264 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
SCHEMBL21167565 0.84 CSF1R (0.62) LDHALDHBCSF1RMETMKNK1
SCHEMBL21167751 0.84 LDHA (0.43) LDHALDHBCSF1RMETMKNK1
SCHEMBL21167458 0.83 LDHA (0.43) LDHALDHBCSF1RMETATR
SCHEMBL21167754 0.82 MET (0.60) LDHALDHBCSF1RMETATR
SCHEMBL21167831 0.81 LDHA (0.38) LDHALDHBCSF1RMETAPP
SCHEMBL21167564 0.81 MET (0.59) LDHALDHBCSF1RMETCYP2C9
SCHEMBL24591021 0.80 MET (0.44) LDHALDHBCSF1RMETATR
SCHEMBL21167473 0.78 MET (0.47) LDHALDHBCSF1RMETJAK2
SCHEMBL21167452 0.75 MET (0.54) LDHALDHBCSF1RMETJAK2
SCHEMBL12689583 0.71 MET (0.73) METCYP2C9

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