SCHEMBL31455274

SCHEMBL31455274

COC(=O)C1CC2(CC(C(=O)Nc3ccc(Nc4nc(-c5ccccc5)ccc4N)c(C)n3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
GSK3B P49841 4/20 0.36
GSK3A P49840 2/20 0.36
ADORA1 P30542 8/20 0.35
ADORA2A P29274 6/20 0.35
ADORA3 P0DMS8 5/20 0.35
HDAC3 O15379 1/20 0.33
MAP2K3 P46734 1/20 0.32
MAPT P10636 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 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
SCHEMBL31455487 0.93 HDAC1 (0.36) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455325 0.89 HDAC1 (0.41) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455019 0.87 GSK3A (0.34) GSK3BGSK3AADORA1ADORA2AADORA3
SCHEMBL31455285 0.86 HDAC2 (0.40) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31454994 0.85 TNIK (0.36) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455490 0.84 HDAC1 (0.40) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455491 0.84 HDAC1 (0.40) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455406 0.81 CYP3A4 (0.34) GSK3BGSK3AADORA1ADORA2AADORA3
SCHEMBL31455411 0.78 HDAC1 (0.46) HDAC1HDAC2GSK3BGSK3AADORA1
SCHEMBL31455694 0.78 HDAC1 (0.46) HDAC1HDAC2GSK3BGSK3AADORA1

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