SCHEMBL28046431

SCHEMBL28046431

CCOc1cc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.81

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
SCHEMBL10288073 0.90 ABL1 (1.00) ABL1
SCHEMBL14297759 0.86 ABL1 (1.00) ABL1
SCHEMBL10288286 0.86 ABL1 (0.85) ABL1
SCHEMBL9939366 0.85 ABL1 (0.85) ABL1
SCHEMBL10288052 0.84 ABL1 (0.83) ABL1
SCHEMBL10287717 0.84 ABL1 (0.81) ABL1
SCHEMBL10287729 0.84 ABL1 (1.00) ABL1
SCHEMBL9938334 0.83 ABL1 (1.00) ABL1
SCHEMBL9939236 0.83 ABL1 (1.00) ABL1
SCHEMBL9939722 0.83 ABL1 (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103261167-B 6 of replacement, 6-condenses nitrogen-containing heterocycle compound and uses thereof HOFFMAN-LA ROCHE LTD. (CH) 2016-05-04 CN claimed