SCHEMBL6618320

SCHEMBL6618320

COc1ccc(-c2noc(N)c2C(=O)NCCC(C)c2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.45
GABRA1 P14867 2/20 0.43
GABRA5 P31644 3/20 0.43
CD274 Q9NZQ7 1/20 0.40
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6323447 0.93 EPHX2 (0.45) GABRA1GABRA5CD274MAPK1POLB
SCHEMBL6316178 0.89 GABRA1 (0.47) GABRA1GABRA5CD274MAPK1LMNA
SCHEMBL6324006 0.85 MAPT (0.48) CD274LMNARAB9A
SCHEMBL6321552 0.84 MAPK1 (0.52) GABRA1MAPK1POLBLMNARAB9A
SCHEMBL6317605 0.83 L3MBTL1 (0.57) GABRA5
SCHEMBL6617642 0.83 ALDH1A1 (0.48) RIPK1LMNA
SCHEMBL6324039 0.83 ALDH1A1 (0.52) GABRA1MAPK1LMNARAB9A
SCHEMBL6315938 0.83 GABRA1 (0.45) GABRA1GABRA5MAPK1POLBLMNA
SCHEMBL6323900 0.83 GABRA1 (0.51) GABRA1GABRA5CD274MAPK1POLB
SCHEMBL6324304 0.83 L3MBTL1 (0.53) GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed