SCHEMBL31472008

SCHEMBL31472008

c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(N3CC4CCC3CN4)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.65
PAK1 Q13153 3/20 0.65
ULK1 O75385 2/20 0.57
SRC P12931 2/20 0.55
CCNA2 P20248 2/20 0.55
CDK2 P24941 2/20 0.55
GSK3B P49841 2/20 0.55
NTRK1 P04629 2/20 0.54
NTRK3 Q16288 1/20 0.51
NTRK2 Q16620 1/20 0.51
IGF1R P08069 1/20 0.49

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
SCHEMBL31471946 0.92 PAK4 (0.65) PAK4PAK1ULK1SRCCCNA2
SCHEMBL31471728 0.84 PAK4 (0.73) PAK4PAK1ULK1SRCCCNA2
SCHEMBL31471881 0.80 PAK4 (0.57) PAK4PAK1ULK1SRCCCNA2
SCHEMBL31472010 0.80 PAK4 (0.59) PAK4PAK1ULK1SRCCCNA2
SCHEMBL31471765 0.79 PAK4 (0.81) PAK4PAK1SRCCCNA2CDK2
SCHEMBL22072524 0.78 PAK4 (0.83) PAK4PAK1IGF1R
SCHEMBL31471972 0.78 PAK4 (0.83) PAK4PAK1IGF1R
SCHEMBL31141210 0.77 PAK4 (0.61) PAK4PAK1ULK1SRCCCNA2
SCHEMBL22072085 0.77 PAK4 (0.66) PAK4PAK1ULK1SRCCCNA2
SCHEMBL12430667 0.77 ULK1 (0.86) PAK4PAK1ULK1SRCCCNA2

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