SCHEMBL21167698

SCHEMBL21167698

CC(=O)Nc1ccc(-c2ccc(N)c(N(N)Cc3c[nH]c4ncccc34)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
CYP3A4 P08684 3/20 0.41
MAP4K1 Q92918 3/20 0.41
NTRK1 P04629 2/20 0.38
SYK P43405 2/20 0.38
TDO2 P48775 1/20 0.38
ABL1 P00519 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
USP7 Q93009 1/20 0.36
CAMKK2 Q96RR4 2/20 0.35
PARP1 P09874 1/20 0.35
DHODH Q02127 1/20 0.35
PDPK1 O15530 2/20 0.34
DYRK1A Q13627 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
CDC7 O00311 1/20 0.34
DAPK3 O43293 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PRKACA P17612 1/20 0.34

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
SCHEMBL21167697 0.82 MTNR1A (0.44) MTNR1ACYP3A4MAP4K1SYKTDO2
SCHEMBL22475688 0.78 HDAC3 (0.42) SYKUSP7
SCHEMBL24591093 0.77 FGFR1 (0.53) CYP3A4NTRK1SYKGPR84PDPK1
SCHEMBL21167574 0.76 MET (0.55) CYP3A4MAP4K1GPR84CDK2
SCHEMBL21167797 0.74 MET (0.43) CYP3A4MAP4K1PDPK1CDC7ROCK2
SCHEMBL16882543 0.73 MTNR1A (0.42) MTNR1ACYP3A4SYKTDO2GPR84
SCHEMBL12487535 0.73 MET (0.48) MTNR1ASYKTDO2GPR84DYRK1A
SCHEMBL22475864 0.72 GPR84 (0.43) MTNR1ACYP3A4MAP4K1SYKGPR84
SCHEMBL21167357 0.72 MET (0.47) PDPK1
SCHEMBL23127946 0.67 BCHE (0.34) NTRK1GPR84PDPK1

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