SCHEMBL21078329

SCHEMBL21078329

CCN1CCC(Cc2nccn2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
MAP4K4 O95819 2/20 0.45
DCPS Q96C86 1/20 0.39
KCNH2 Q12809 1/20 0.35
FDPS P14324 1/20 0.35
PRMT6 Q96LA8 2/20 0.35
SCN9A Q15858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KAT2B Q92831 1/20 0.34
CARM1 Q86X55 1/20 0.33
OPRM1 P35372 1/20 0.33
CCR3 P51677 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
SCHEMBL17896812 0.81 MAP4K4 (0.52) HRH3MAP4K4DCPSFDPSMEN1
SCHEMBL21178480 0.80 MAP4K4 (0.46) HRH3MAP4K4FDPSMEN1KMT2A
SCHEMBL13621199 0.80 MAP4K4 (0.47) HRH3MAP4K4DCPSKCNH2FDPS
SCHEMBL21058810 0.78 BRD4 (0.43) HRH3MAP4K4KCNH2FDPSMEN1
SCHEMBL20328914 0.77 EGLN1 (0.44) DCPSSCN9AMEN1KMT2A
SCHEMBL1332937 0.77 EGLN1 (0.44) DCPSSCN9AMEN1KMT2A
SCHEMBL12090434 0.75 MAP4K4 (0.54) HRH3MAP4K4KCNH2FDPSPRMT6
SCHEMBL17896402 0.75 MAP4K4 (0.47) HRH3MAP4K4DCPSFDPSMEN1
SCHEMBL28251948 0.73 MAP4K4 (0.40) MAP4K4DCPSFDPSMEN1KMT2A
SCHEMBL2606179 0.71 DCPS (0.46) HRH3DCPSSCN9AKAT2B

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed