SCHEMBL28066779

SCHEMBL28066779

[CH2]c1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)cc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.82
AKT2 P31751 20/20 0.82

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
SCHEMBL15169989 0.90 AKT1 (1.00) AKT1AKT2
SCHEMBL531122 0.90 AKT1 (1.00) AKT1AKT2
SCHEMBL526882 0.89 AKT1 (1.00) AKT1AKT2
SCHEMBL15183439 0.87 AKT1 (1.00) AKT1AKT2
SCHEMBL530202 0.87 AKT1 (1.00) AKT1AKT2
SCHEMBL526259 0.87 AKT1 (0.77) AKT1AKT2
Hydrochloric Acid SCHEMBL530618 0.87 AKT1 (0.98) AKT1AKT2
SCHEMBL15169808 0.87 AKT1 (1.00) AKT1AKT2
Hydrochloric Acid SCHEMBL530179 0.86 AKT1 (0.98) AKT1AKT2
SCHEMBL526888 0.86 AKT1 (1.00) AKT1AKT2

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-103384670-B Imidazo [1, the 2-b] pyridazine replacing BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-25 CN claimed