SCHEMBL31471925

SCHEMBL31471925

O=C(O)Cc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.73
NTRK1 P04629 2/20 0.66
PDK1 Q15118 1/20 0.59
ULK2 Q8IYT8 1/20 0.59
NTRK3 Q16288 1/20 0.57
NTRK2 Q16620 1/20 0.57
IGF1R P08069 4/20 0.56
SRC P12931 2/20 0.56
GSK3B P49841 2/20 0.56
AURKB Q96GD4 1/20 0.56
AURKA O14965 1/20 0.53
PAK4 O96013 2/20 0.52
PAK1 Q13153 2/20 0.52

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
SCHEMBL12430688 1.00 ULK1 (0.73) ULK1NTRK1PDK1ULK2NTRK3
SCHEMBL31471862 0.93 ULK1 (0.73) ULK1NTRK1PDK1ULK2NTRK3
SCHEMBL31471871 0.88 ULK1 (0.64) ULK1NTRK1PDK1ULK2NTRK3
SCHEMBL12430676 0.88 ULK1 (0.74) ULK1NTRK1PDK1ULK2NTRK3
SCHEMBL12430674 0.88 ULK1 (0.77) ULK1NTRK1PDK1ULK2NTRK3
SCHEMBL31471760 0.88 ULK1 (0.77) ULK1NTRK1PDK1ULK2NTRK3
SCHEMBL13601618 0.87 ULK1 (0.70) ULK1NTRK1PDK1ULK2NTRK3
SCHEMBL31471779 0.87 ULK1 (0.86) ULK1NTRK1PDK1ULK2NTRK3
SCHEMBL12430667 0.87 ULK1 (0.86) ULK1NTRK1PDK1ULK2NTRK3
SCHEMBL12430675 0.86 ULK1 (0.74) ULK1NTRK1PDK1ULK2NTRK3

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-2025100889-A1 QUINAZOLINE DERIVATIVE, SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-05-15 WO disclosed