SCHEMBL21167358

SCHEMBL21167358

Nc1ccc(-c2cn(C3CCNCC3)[nH]2)nc1NCc1c[nH]c2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.37
DRD4 P21917 7/20 0.35
DRD3 P35462 6/20 0.35
DRD2 P14416 5/20 0.35
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
MET P08581 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAP4K3 Q8IVH8 1/20 0.34
RET P07949 1/20 0.33
PDPK1 O15530 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
SCHEMBL22475837 0.84 MAP4K3 (0.49) METMAP4K3PDPK1
SCHEMBL22475838 0.72 GPR84 (0.35) GPR84DRD4DRD3DRD2CDK2
SCHEMBL22475864 0.70 GPR84 (0.43) GPR84CDK2METCYP3A4CYP2C19
SCHEMBL21167798 0.70 FGFR1 (0.54) DRD4DRD3CDK2CYP3A4CYP2C19
SCHEMBL22475696 0.69 MET (0.44) GPR84CCNE1CDK2METCYP3A4
SCHEMBL21167357 0.67 MET (0.47) METMAP4K3PDPK1
SCHEMBL21167697 0.67 MTNR1A (0.44) GPR84CYP3A4CYP2C19PDPK1
SCHEMBL23127946 0.66 BCHE (0.34) GPR84DRD4DRD3DRD2MET
SCHEMBL2197248 0.64 GPR84 (0.50) GPR84DRD4DRD3DRD2CCNE1
SCHEMBL24591031 0.64 MET (0.61) GPR84CCNE1CDK2MET

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-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed