SCHEMBL17150549

SCHEMBL17150549

C=CC(=O)N1CCC2(CC1)CC(N)C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TET3 O43151 7/20 0.43
KMT2A Q03164 7/20 0.43
FBXL19 Q6PCT2 7/20 0.43
CXXC5 Q7LFL8 7/20 0.43
KDM2B Q8NHM5 7/20 0.43
CXXC4 Q9H2H0 7/20 0.43
KDM2A Q9Y2K7 7/20 0.43
TET1 Q8NFU7 5/20 0.43
BTK Q06187 13/20 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
SCHEMBL16380338 0.82 KMT2A (0.43) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL19054828 0.80 KMT2A (0.44) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL16375283 0.78 KMT2A (0.40) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL15472505 0.78 KMT2A (0.40) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL19352905 0.78 KMT2A (0.40) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL24244473 0.78 KMT2A (0.41) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL9993085 0.77 HRH3 (0.32)
SCHEMBL29829152 0.77 KMT2A (0.47) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL12163604 0.75 TEAD1 (0.42) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL20849781 0.75 TET3 (0.45) TET3KMT2AFBXL19CXXC5KDM2B

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-2015151006-A1 SUBSTITUTED PURINE COMPOUNDS AS BTK INHIBITORS LUPIN LIMITED (IN) 2015-10-08 WO disclosed