SCHEMBL31455694

SCHEMBL31455694

COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccc(Nc3nc(-c4ccccc4)ccc3N)c(C)c2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
GSK3B P49841 3/20 0.42
GSK3A P49840 2/20 0.42
ADORA1 P30542 7/20 0.40
ADORA3 P0DMS8 6/20 0.40
ADORA2A P29274 5/20 0.40
IGF1R P08069 1/20 0.39
HDAC3 O15379 1/20 0.39
ABL1 P00519 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL31455411 1.00 HDAC1 (0.46) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455285 0.90 HDAC2 (0.40) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455449 0.86 GSK3B (0.39) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455364 0.85 ADORA1 (0.42) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455325 0.82 HDAC1 (0.41) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455274 0.78 HDAC1 (0.38) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455145 0.77 CYP3A4 (0.33) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455487 0.76 HDAC1 (0.36) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31454994 0.76 TNIK (0.36) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455390 0.74 HDAC2 (0.56) HDAC1HDAC2GSK3BABL1

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed