SCHEMBL24565179

SCHEMBL24565179

CC[C@@H](CCCOc1ccc(OC)c(Nc2nc(Nc3ccccc3OC)c3cc[nH]c3n2)c1)N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 12/20 0.57
▸ IGF1R P08069 5/20 0.54
▸ MAPK8 P45983 2/20 0.51
▸ TTK P33981 1/20 0.47
▸ ALK Q9UM73 1/20 0.46
▸ GRK5 P34947 1/20 0.46

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
SCHEMBL24565324 0.82 IGF1R (0.59) MAP4K1IGF1RMAPK8TTKGRK5
SCHEMBL24565262 0.81 MAP4K1 (0.57) MAP4K1IGF1RMAPK8GRK5
SCHEMBL24565236 0.77 IGF1R (0.58) MAP4K1IGF1RMAPK8TTKGRK5
SCHEMBL24565257 0.74 MAP4K1 (0.52) MAP4K1IGF1RMAPK8ALK
SCHEMBL24565244 0.72 IGF1R (0.59) MAP4K1IGF1RMAPK8TTKGRK5
SCHEMBL24565450 0.71 IGF1R (0.57) MAP4K1IGF1RMAPK8TTKGRK5
SCHEMBL2206437 0.70 IGF1R (0.68) IGF1RMAPK8ALKGRK5
SCHEMBL12430016 0.69 IGF1R (0.67) IGF1RMAPK8ALKGRK5
SCHEMBL12429331 0.69 IGF1R (0.75) MAP4K1IGF1RMAPK8ALKGRK5
SCHEMBL24565472 0.69 EGFR (0.61) ALK

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-2022139386-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-06-30 — — WO disclosed
Send feedback