SCHEMBL9939304

SCHEMBL9939304

Cc1cc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c(C(=O)OCc2cnc(C)c(-c3ccc4cc(NC(=O)C5CC5)ncc4c3)c2)cn1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.70

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
SCHEMBL9939282 0.83 ABL1 (1.00) ABL1
SCHEMBL10288278 0.80 ABL1 (0.80) ABL1
SCHEMBL14244609 0.80 ABL1 (1.00) ABL1
SCHEMBL10288455 0.79 ABL1 (1.00) ABL1
SCHEMBL14244604 0.78 ABL1 (0.76) ABL1
SCHEMBL9938403 0.78 ABL1 (1.00) ABL1
SCHEMBL10287854 0.77 ABL1 (1.00) ABL1
SCHEMBL14297759 0.77 ABL1 (1.00) ABL1
SCHEMBL9941955 0.77 ABL1 (1.00) ABL1
SCHEMBL9939307 0.77 ABL1 (0.79) ABL1

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-2651899-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
WO-2012080284-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed