SCHEMBL20144231

SCHEMBL20144231

C=CC(=O)N1CC(C)(CC(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.33
TSHR P16473 1/20 0.32
PIK3CD O00329 1/20 0.31
JAK3 P52333 2/20 0.31
TET3 O43151 2/20 0.30
KMT2A Q03164 2/20 0.30
FBXL19 Q6PCT2 2/20 0.30
CXXC5 Q7LFL8 2/20 0.30
TET1 Q8NFU7 2/20 0.30
KDM2B Q8NHM5 2/20 0.30
CXXC4 Q9H2H0 2/20 0.30
KDM2A Q9Y2K7 2/20 0.30
ALDH1A1 P00352 1/20 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
SCHEMBL29333077 0.79 KMT2A (0.35) KRASTSHRJAK3TET3KMT2A
SCHEMBL24092956 0.77 TET3 (0.33) KRASTSHRJAK3TET3KMT2A
SCHEMBL20148575 0.77 SMN1; SMN2 (0.45) PIK3CDALDH1A1
SCHEMBL24829662 0.74 TET3 (0.36) KRASJAK3TET3KMT2AFBXL19
SCHEMBL25844825 0.74 JAK3 (0.32) KRASJAK3TET3KMT2AFBXL19
SCHEMBL23682421 0.73 TET3 (0.33) KRASTSHRJAK3TET3KMT2A
SCHEMBL22699586 0.71 JAK3 (0.33) KRASTSHRJAK3TET3KMT2A
SCHEMBL24497417 0.70 KMT2A (0.40) JAK3TET3KMT2AFBXL19CXXC5
SCHEMBL21958804 0.70 KMT2A (0.40) JAK3TET3KMT2AFBXL19CXXC5
SCHEMBL22833078 0.70 KMT2A (0.36) JAK3TET3KMT2AFBXL19CXXC5

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-2970300-B1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-05-16 EP disclosed