SCHEMBL20209150

SCHEMBL20209150

C=C(O)c1nc2cc[nH]c2nc1N

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.40
RIPK1 Q13546 1/20 0.34
DYRK1A Q13627 1/20 0.31
JAK3 P52333 2/20 0.31

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
SCHEMBL20208921 0.83 ALDH1A1 (0.41) MAPK1RIPK1DYRK1AJAK3
SCHEMBL20209076 0.82 MAPK1 (0.37) MAPK1RIPK1
SCHEMBL25934515 0.77 MAPK1 (0.50) MAPK1RIPK1DYRK1A
SCHEMBL20187673 0.77 NPSR1 (0.42) MAPK1DYRK1A
SCHEMBL20209080 0.74 CYP19A1 (0.37) MAPK1
SCHEMBL25934516 0.71 MAPK1 (0.44) MAPK1RIPK1DYRK1A
SCHEMBL25934519 0.70 MAPK1 (0.33) MAPK1
SCHEMBL20208919 0.70 MAP4K1 (0.36)
SCHEMBL25934521 0.69 CD38 (0.33) MAPK1DYRK1A
SCHEMBL20209088 0.68 CD38 (0.40)

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-2018096325-A1 BENZODIAZOLIUM COMPOUNDS AS ENAC INHIBITORS Enterprise Therapeutics Limited (GB) 2018-05-31 WO disclosed