SCHEMBL4775480

SCHEMBL4775480

COc1cccc(-n2nc(Nc3ccc(OCCN4CCCC4)cc3)nc2N)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.73
AXL P30530 11/20 0.73
INSR P06213 1/20 0.62

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
SCHEMBL4233948 0.87 AXL (0.77) BACE1AXLINSR
SCHEMBL29928943 0.84 BACE1 (1.00) BACE1AXLINSR
SCHEMBL4237164 0.84 BACE1 (1.00) BACE1AXLINSR
SCHEMBL29928365 0.83 BACE1 (0.75) BACE1AXLINSR
SCHEMBL1167563 0.83 BACE1 (0.60) BACE1AXLINSR
SCHEMBL1167837 0.82 BACE1 (0.59) BACE1AXLINSR
SCHEMBL4991637 0.82 BACE1 (0.73) BACE1AXLINSR
SCHEMBL29929832 0.82 BACE1 (0.73) BACE1AXLINSR
SCHEMBL4249916 0.82 AXL (0.80) BACE1AXL
SCHEMBL1167941 0.82 BACE1 (0.58) BACE1AXLINSR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922310-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2008-05-21 EP claimed
WO-2007030680-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2007-03-15 WO claimed