SCHEMBL20008425

SCHEMBL20008425

CCCN(CCC)/C(C)=C/C(=N)c1cc(N)cnc1C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.31
GRIN2D O15399 2/20 0.30
GRIN3B O60391 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30
GRIN2B Q13224 2/20 0.30
GRIN2C Q14957 2/20 0.30
GRIN3A Q8TCU5 2/20 0.30

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
SCHEMBL20009697 0.80
SCHEMBL5592985 0.64 SMN1; SMN2 (0.52)
SCHEMBL27977991 0.64 KMT2A (0.39)
SCHEMBL2328573 0.61 KDM4E (0.53)
SCHEMBL25198432 0.61 NOS2 (0.37) CRHR1
SCHEMBL24364823 0.61 NNMT (0.43)
SCHEMBL2324851 0.61 KMT2A (0.55)
SCHEMBL22165795 0.60 NOS3 (0.48)
SCHEMBL2333526 0.59 KDM4E (0.38)
SCHEMBL15242259 0.59 NOS3 (0.34)

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed