SCHEMBL28046448

SCHEMBL28046448

COCCNC(=O)c1ccc(C)c(-c2ccc3cc(C4(C(N)=O)CC4)ncc3c2)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.66
BRAF P15056 2/20 0.47

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
SCHEMBL28046472 0.84 ABL1 (0.62) ABL1
SCHEMBL28046468 0.84 ABL1 (0.75) ABL1
SCHEMBL28046474 0.83 ABL1 (0.68) ABL1
SCHEMBL28046496 0.83 ABL1 (0.53) ABL1
SCHEMBL28046460 0.82 ABL1 (0.67) ABL1
SCHEMBL28046485 0.82 ABL1 (0.60) ABL1
SCHEMBL28046442 0.80 ABL1 (0.70) ABL1
SCHEMBL28046463 0.80 ABL1 (0.70) ABL1
SCHEMBL14244541 0.80 ABL1 (1.00) ABL1
SCHEMBL28046489 0.77 ABL1 (0.52) 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