SCHEMBL31455206

SCHEMBL31455206

COC(=O)C(C)(C)C1CCN(Cc2ccc(Nc3nc(-c4ccccc4)ccc3N)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PRKAA2 P54646 4/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC3 O15379 1/20 0.35
SYK P43405 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 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
SCHEMBL31455146 0.88 GSK3A (0.35) CHRM2CHRM1CHRM3PRKAA2SYK
SCHEMBL31455116 0.78 HDAC2 (0.35) CHRM2CHRM1CHRM3PIM1PIM3
SCHEMBL31455391 0.74 AKT1 (0.55)
SCHEMBL31455311 0.73 DRD2 (0.46) SYKJAK2
SCHEMBL31455244 0.72 CYP2C9 (0.43) SYKMCHR1JAK2
SCHEMBL31455120 0.71 PDE5A (0.43) HDAC2PIK3CAJAK2JAK1
SCHEMBL31455090 0.68 LTA4H (0.47) CHRM2SYKJAK2
SCHEMBL31455195 0.68 HDAC1 (0.45) HDAC1HDAC2SYKPIK3CADYRK1A
SCHEMBL31455366 0.68 ALDH1A1 (0.61) HDAC1HDAC2
SCHEMBL25385310 0.66 ABCG2 (0.61)

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