SCHEMBL31420342

SCHEMBL31420342

COC(=O)c1ccc(-n2nc(C)cc2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 4/20 0.48
HPGD P15428 3/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
KLF5 Q13887 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
KDM4A O75164 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL31420371 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTHPGDGAA
SCHEMBL31420390 0.85 GAA (0.54) ALDH1A1L3MBTL1MAPTHPGDRAB9A
SCHEMBL25298082 0.83 KDM4A (0.55) ALDH1A1L3MBTL1MAPTHPGDRAB9A
SCHEMBL25255909 0.79 POLB (0.61) ALDH1A1L3MBTL1MAPTHPGDRAB9A
SCHEMBL3292686 0.79 LMNA (0.60) ALDH1A1MAPTHPGDRAB9AGAA
SCHEMBL31420293 0.78 MAPT (0.51) ALDH1A1L3MBTL1MAPTHPGDRAB9A
SCHEMBL31420282 0.77 KDM4A (0.49) ALDH1A1MAPTHPGDTSHRTDP1
SCHEMBL3290485 0.75 POLB (0.55) ALDH1A1L3MBTL1MAPTHPGDRAB9A
SCHEMBL7010501 0.73 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPTHPGDRAB9A
SCHEMBL25293276 0.71 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTHPGDRAB9A

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-2025059469-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS AKT INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed