SCHEMBL20008328

SCHEMBL20008328

Cc1cnc(C)c(-c2cc(N3CCCCC3)nc(N3CCCC3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RAF1 P04049 7/20 0.39
BRAF P15056 7/20 0.39

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
SCHEMBL20008486 0.79 CNR2 (0.45) CNR2SMN1; SMN2GAAALDH1A1RAF1
SCHEMBL20008499 0.72 RAF1 (0.51) ALDH1A1RAF1BRAF
SCHEMBL25594314 0.71 RAF1 (0.63) CRHBPCRHR2KMT2ARAF1BRAF
SCHEMBL20008296 0.71 SMARCA2 (0.40) CNR2SMN1; SMN2RAF1BRAF
SCHEMBL20009409 0.70 RAF1 (0.45) CNR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20008469 0.70 CNR2 (0.38) CNR2RAF1BRAF
SCHEMBL20008890 0.69 RAF1 (0.49) RAF1BRAF
SCHEMBL20008122 0.69 SMN1; SMN2 (0.46) CRHBPCRHR2SMN1; SMN2L3MBTL1KDM4E
SCHEMBL20008452 0.67 GALR2 (0.44) CRHBPCRHR2SMN1; SMN2L3MBTL1KDM4E
SCHEMBL82447 0.66 CNR2 (0.62) CNR2ALDH1A1NPSR1LMNA

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