SCHEMBL21212469

SCHEMBL21212469

Cc1cc(C(=O)N2CCCC2C)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
HPGD P15428 1/20 0.57
PROKR1 Q8TCW9 3/20 0.57
GRM5 P41594 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PDK2 Q15119 1/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
LMNA P02545 1/20 0.45
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44

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
SCHEMBL34462903 0.85 GAA (0.56) GAAHPGDGRM5MEN1MAPK1
SCHEMBL34462958 0.85 GAA (0.56) GAAHPGDGRM5MEN1MAPK1
SCHEMBL23029632 0.84 PROKR1 (0.49) GAAHPGDPROKR1GRM5PDK2
SCHEMBL30009291 0.82 HPGD (0.64) GAAHPGDGRM5MEN1MAPK1
SCHEMBL23029422 0.82 PROKR1 (0.47) GAAHPGDPROKR1GRM5CA12
SCHEMBL22055721 0.81 GAA (0.71) GAAHPGDCA12CA1CA2
SCHEMBL5908997 0.81 GAA (0.71) GAAHPGDCA12CA1CA2
SCHEMBL1948862 0.80 PROKR1 (0.46) GAAHPGDPROKR1HTTALDH1A1
SCHEMBL4520736 0.80 HPGD (0.60) GAAHPGDGRM5MEN1MAPK1
SCHEMBL18114799 0.79 PROKR1 (0.50) PROKR1GRM5PDK2

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-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed