SCHEMBL31569166

SCHEMBL31569166

Cc1ccnc2nc(CO)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.53
NOS1 P29475 4/20 0.53
NOS3 P29474 2/20 0.53
AURKA O14965 1/20 0.47
PRMT5 O14744 2/20 0.43
ADORA1 P30542 1/20 0.40
ENPP1 P22413 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.34
MAOA P21397 1/20 0.34
DYRK1A Q13627 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK8 P45983 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32

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
SCHEMBL3211252 0.84 ADORA1 (0.57) NOS2NOS1NOS3AURKAPRMT5
SCHEMBL7378689 0.81 NOS2 (0.59) NOS2NOS1NOS3AURKAPRMT5
SCHEMBL9406654 0.80 NOS2 (0.58) NOS2NOS1NOS3AURKAPRMT5
SCHEMBL9041424 0.79 NOS1 (0.56) NOS2NOS1NOS3AURKAPRMT5
SCHEMBL9648738 0.78 PI4KA (0.57) NOS2NOS1NOS3AURKAPRMT5
SCHEMBL6305824 0.77 AURKA (0.58) NOS2NOS1NOS3AURKAPRMT5
SCHEMBL9406720 0.76 PI4KA (0.56) NOS2NOS1NOS3AURKAPRMT5
SCHEMBL31569363 0.76 AURKA (0.47) NOS2NOS1NOS3AURKAPRMT5
SCHEMBL21533572 0.74 NOS2 (0.65) NOS2NOS1NOS3AURKAPRMT5
SCHEMBL31569181 0.73 KDM4E (0.41) NOS2NOS1NOS3AURKAADORA1

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-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed