SCHEMBL9851491

SCHEMBL9851491

CCCc1nc2nc(N(C)C)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4C Q9H3R0 1/20 0.33
NCF1 P14598 1/20 0.33
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDE10A Q9Y233 1/20 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
SCHEMBL9705920 0.91 PRMT5 (0.41) PRMT5NOS1NOS2NOS3KMT2A
SCHEMBL9090094 0.77 ADORA1 (0.40) ADORA3ADORA2AADORA1KDM4ENOS1
SCHEMBL9851422 0.77 MARS2 (0.41) PRMT5ADORA3ADORA2AADORA1KDM4E
SCHEMBL9851421 0.74 NOS1 (0.60) PRMT5ADORA3ADORA2AADORA1KDM4E
SCHEMBL9851448 0.72 ADORA3 (0.36) ADORA3ADORA2AADORA1KDM4ENOS1
SCHEMBL3960231 0.70 CYP2C9 (0.57) NOS1NOS2CYP2C9
SCHEMBL10439327 0.68 PARP1 (0.40) PRMT5NOS1NOS2NOS3KMT2A
SCHEMBL9703975 0.68 PARP1 (0.40) NOS1NOS2NOS3KMT2APOLB
SCHEMBL9704776 0.68 PI4KA (0.46) KDM4ENOS1NOS2NOS3KMT2A
SCHEMBL9088551 0.67 HTR1F (0.43) ADORA3ADORA2AADORA1

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-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed