SCHEMBL31420293

SCHEMBL31420293

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 2/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 3/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 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 3/20 0.44
GAA P10253 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
PTGS1 P23219 1/20 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
SCHEMBL31420282 0.88 KDM4A (0.49) MAPTALDH1A1HPGDTSHRTDP1
SCHEMBL31420387 0.86 MAPT (0.48) MAPTALDH1A1L3MBTL1HPGDTSHR
SCHEMBL31420286 0.85 XDH (0.48) MAPTALDH1A1L3MBTL1HPGDRAB9A
SCHEMBL25293276 0.80 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1HPGDTSHR
SCHEMBL25290446 0.79 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1HPGDTSHR
SCHEMBL25248202 0.79 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1HPGDTSHR
SCHEMBL31420342 0.78 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1HPGDTSHR
SCHEMBL14177051 0.77 L3MBTL1 (0.51) MAPTALDH1A1L3MBTL1HPGDTSHR
SCHEMBL22121974 0.76 MAPT (0.49) MAPTALDH1A1L3MBTL1HPGDTSHR
SCHEMBL25293309 0.76 TP53 (0.52) MAPTALDH1A1HPGDTSHRTDP1

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