SCHEMBL12840752

SCHEMBL12840752

C=CC(=O)N1CCC(S)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 6/20 0.45
TEAD3 Q99594 2/20 0.45
TET3 O43151 3/20 0.38
KMT2A Q03164 3/20 0.38
FBXL19 Q6PCT2 3/20 0.38
CXXC5 Q7LFL8 3/20 0.38
KDM2B Q8NHM5 3/20 0.38
CXXC4 Q9H2H0 3/20 0.38
KDM2A Q9Y2K7 3/20 0.38
TET1 Q8NFU7 2/20 0.38
JAK3 P52333 6/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
BTK Q06187 2/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL20892759 0.88 TEAD1 (0.43) TEAD1TEAD3JAK3JAK1BTK
SCHEMBL17099705 0.82 TEAD1 (0.44) TEAD1TEAD3TET3KMT2AFBXL19
SCHEMBL237862 0.81
SCHEMBL12764449 0.81 TET3 (0.47) TEAD1TEAD3TET3KMT2AFBXL19
SCHEMBL167151 0.81 TET3 (0.47) TEAD1TEAD3TET3KMT2AFBXL19
SCHEMBL20547259 0.81 TET3 (0.47) TEAD1TEAD3TET3KMT2AFBXL19
SCHEMBL29728768 0.80 TEAD1 (0.43) TEAD1TEAD3TET3KMT2AFBXL19
SCHEMBL2941527 0.80 TEAD1 (0.43) TEAD1TEAD3TET3KMT2AFBXL19
SCHEMBL20780999 0.78 TEAD1 (0.42) TEAD1TEAD3TET3KMT2AFBXL19
SCHEMBL12163604 0.78 TEAD1 (0.42) TEAD1TEAD3TET3KMT2AFBXL19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940425-A HER2 mutation inhibitors 阿雷生物药品公司 2024-04-26 CN disclosed
WO-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 WO disclosed