SCHEMBL29928982

SCHEMBL29928982

COc1cc2ncnc(-n3nc(Nc4ccc(Cl)c(N5CCN(C(C)=O)CC5)c4)nc3N)c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 8/20 0.63
KDR P35968 6/20 0.63
INSR P06213 6/20 0.63
ACHE P22303 1/20 0.54
BACE1 P56817 1/20 0.54
PDGFRB P09619 11/20 0.54
PDGFRA P16234 2/20 0.51
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL3960026 1.00 AXL (0.63) AXLKDRINSRACHEBACE1
SCHEMBL3958288 0.88 AXL (0.80) AXLKDRINSRACHEBACE1
SCHEMBL29928559 0.88 AXL (0.80) AXLKDRINSRACHEBACE1
SCHEMBL3960718 0.88 AXL (0.66) AXLKDRINSRACHEBACE1
SCHEMBL4993005 0.82 AXL (0.76) AXLKDRINSRFLT3
SCHEMBL29929755 0.81 AXL (0.73) AXLKDRINSRACHEBACE1
SCHEMBL3959507 0.81 AXL (0.73) AXLKDRINSRACHEBACE1
SCHEMBL4254711 0.80 AXL (0.85) AXLKDRINSR
SCHEMBL4238608 0.79 AXL (0.79) AXLKDRINSRACHEBACE1
SCHEMBL29927936 0.79 AXL (0.79) AXLKDRINSRACHEBACE1

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
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed