SCHEMBL20159598

SCHEMBL20159598

CC(C)Cn1nc(I)nc1Br

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3194220 0.79 KMT2A (0.39) GRM2ADORA3ADORA2AADORA2BADORA1
SCHEMBL14668837 0.73 GRM2 (0.32) GRM2ADORA3ADORA2AADORA2BADORA1
SCHEMBL23504747 0.68
SCHEMBL20159330 0.64 MEN1 (0.31) SMN1; SMN2
SCHEMBL21218007 0.64 CSNK2A1 (0.44) ADORA2AADORA2BADORA1
SCHEMBL4406803 0.63 MAPT (0.44) GRM2ADORA3ADORA2AADORA2BADORA1
SCHEMBL31437829 0.61 GRM2 (0.38) GRM2SMN1; SMN2
SCHEMBL29067966 0.61 ADORA2A (0.39) GRM2ADORA3ADORA2AADORA2BADORA1
SCHEMBL16911879 0.60 GRM2 (0.33) GRM2SMN1; SMN2
SCHEMBL21217940 0.60 SMN1; SMN2 (0.39) SMN1; SMN2

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-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed