SCHEMBL9941892

SCHEMBL9941892

CC1(C)OB(c2ccc3cc(NC(=O)C4CC4)ncc3c2)OC1(C)C.Cc1c(N)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.78

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
SCHEMBL9941896 0.92 ABL1 (0.66) ABL1
SCHEMBL9941480 0.89 ABL1 (1.00) ABL1
SCHEMBL9941881 0.85 ABL1 (0.60) ABL1
SCHEMBL14244566 0.78 ABL1 (1.00) ABL1
SCHEMBL14244723 0.78 ABL1 (0.80) ABL1
SCHEMBL31061119 0.77 ABL1 (1.00) ABL1
SCHEMBL9939205 0.77 ABL1 (1.00) ABL1
SCHEMBL10287812 0.76 ABL1 (0.86) ABL1
SCHEMBL14244934 0.76 ABL1 (1.00) ABL1
SCHEMBL10288332 0.76 ABL1 (0.76) 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