SCHEMBL26670650

SCHEMBL26670650

COc1nccc(O[C@@H]2CC[C@H](NC(=O)O)C2)c1C(=O)C=CN(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
AR P10275 7/20 0.34
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL30634808 1.00 HTT (0.34) HTTMAPTLMNAARHCRTR1
SCHEMBL30634790 0.88 PIK3CD (0.38)
SCHEMBL26670649 0.84 HCRTR2 (0.42) ARHCRTR1HCRTR2
SCHEMBL26670726 0.78 AR (0.38) ARHCRTR1HCRTR2
SCHEMBL26670647 0.77 HCRTR1 (0.41) ARHCRTR1HCRTR2ALDH1A1
SCHEMBL26670654 0.77 HCRTR1 (0.41) ARHCRTR1HCRTR2ALDH1A1
SCHEMBL26670745 0.74 AR (0.36) ARHCRTR1HCRTR2
SCHEMBL30101679 0.72 CACNB4 (0.38) MAPTLMNAPOLB
SCHEMBL31507307 0.71 PIK3CD (0.41) HCRTR1HCRTR2
SCHEMBL30634805 0.71 PIK3CD (0.41) HCRTR1HCRTR2

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-2023230477-A1 PYRIDINE CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2023-11-30 WO disclosed