SCHEMBL30770809

SCHEMBL30770809

N#CCc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.73
NTRK1 P04629 2/20 0.66
IGF1R P08069 2/20 0.65
GSK3B P49841 4/20 0.64
AKT1 P31749 1/20 0.64
TGFBR1 P36897 1/20 0.64
GSK3A P49840 1/20 0.64
STK4 Q13043 1/20 0.64
STK3 Q13188 1/20 0.64
BMPR2 Q13873 1/20 0.64
STK26 Q9P289 1/20 0.64
STK24 Q9Y6E0 1/20 0.64
PDK1 Q15118 1/20 0.59
ULK2 Q8IYT8 1/20 0.59
SRC P12931 3/20 0.58
CCNA2 P20248 2/20 0.58
CDK2 P24941 2/20 0.58
NTRK3 Q16288 1/20 0.57
NTRK2 Q16620 1/20 0.57
AURKA O14965 1/20 0.53

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
SCHEMBL12430680 1.00 ULK1 (0.73) ULK1NTRK1IGF1RGSK3BAKT1
SCHEMBL31471822 0.88 ULK1 (0.77) ULK1NTRK1IGF1RGSK3BPDK1
SCHEMBL12430674 0.88 ULK1 (0.77) ULK1NTRK1IGF1RGSK3BSTK3
SCHEMBL31471779 0.87 ULK1 (0.86) ULK1NTRK1IGF1RGSK3BPDK1
SCHEMBL12430667 0.87 ULK1 (0.86) ULK1NTRK1IGF1RGSK3BPDK1
SCHEMBL12430676 0.86 ULK1 (0.74) ULK1NTRK1IGF1RGSK3BSTK3
SCHEMBL12430675 0.86 ULK1 (0.74) ULK1NTRK1IGF1RGSK3BSTK3
SCHEMBL31471925 0.85 ULK1 (0.73) ULK1NTRK1IGF1RGSK3BPDK1
SCHEMBL12430688 0.85 ULK1 (0.73) ULK1NTRK1IGF1RGSK3BPDK1
SCHEMBL31471748 0.85 AURKA (0.74) NTRK1GSK3BGSK3ASRCNTRK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025100889-A1 QUINAZOLINE DERIVATIVE, SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-05-15 WO disclosed
WO-2024003773-A1 2,7-NAPHTHYRIDINE COMPOUNDS AS MASTL INHIBITORS PFIZER INC. (US) 2024-01-04 WO disclosed