SCHEMBL31472010

SCHEMBL31472010

c1ccc(CN2CC3CC2CN3c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.59
PAK1 Q13153 3/20 0.59
IGF1R P08069 1/20 0.55
NTRK1 P04629 2/20 0.54
ULK1 O75385 1/20 0.52
NTRK3 Q16288 1/20 0.51
NTRK2 Q16620 1/20 0.51
SRC P12931 2/20 0.49
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
GSK3B P49841 2/20 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
SCHEMBL31471754 0.88 AURKA (0.55) NTRK1NTRK3NTRK2SRCGSK3B
SCHEMBL31471945 0.84 PAK4 (0.55) PAK4PAK1IGF1RNTRK1ULK1
SCHEMBL31471946 0.82 PAK4 (0.65) PAK4PAK1IGF1RNTRK1ULK1
SCHEMBL31471922 0.81 PAK4 (0.57) PAK4PAK1NTRK1ULK1NTRK3
SCHEMBL31471803 0.81 PAK4 (0.57) PAK4PAK1IGF1RNTRK1ULK1
SCHEMBL31472008 0.80 PAK4 (0.65) PAK4PAK1IGF1RNTRK1ULK1
SCHEMBL31471894 0.80 PAK4 (0.58) PAK4PAK1NTRK1ULK1NTRK3
SCHEMBL31471916 0.80 PAK4 (0.56) PAK4PAK1IGF1RNTRK1ULK1
SCHEMBL31471895 0.80 PAK4 (0.56) PAK4PAK1IGF1RNTRK1ULK1
SCHEMBL31471725 0.78 ROCK2 (0.39) IGF1R

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