SCHEMBL21711286

SCHEMBL21711286

CN(N)C(=O)n1cnc(-c2ccc(F)cc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.40
MAPK13 O15264 5/20 0.40
MAPK12 P53778 5/20 0.40
MAPK11 Q15759 5/20 0.40
TGFBR1 P36897 3/20 0.38
TGFBR2 P37173 2/20 0.38
NR3C2 P08235 1/20 0.38
LMNA P02545 2/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37
TNIK Q9UKE5 1/20 0.37
SCN4A P35499 1/20 0.37

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
SCHEMBL13629004 0.72 SMN1; SMN2 (0.33) LMNA
SCHEMBL21711302 0.70 LMNA (0.36) LMNA
SCHEMBL21711289 0.70 ALDH1A1 (0.36) LMNA
SCHEMBL21711299 0.69 ALDH1A1 (0.35) LMNA
SCHEMBL22847418 0.67 ALDH1A1 (0.33) LMNA
SCHEMBL21675343 0.67 ALDH1A1 (0.34) LMNA
SCHEMBL19945191 0.64
SCHEMBL9075575 0.63 GABRA1 (0.58)
SCHEMBL6774189 0.61 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL20550826 0.61 MAPK14 (0.54) MAPK14LMNA

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
WO-2020033880-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-02-13 WO disclosed