SCHEMBL16211689

SCHEMBL16211689

O=C(O)N1CC2C(C1)C2c1cc(O)nc(S)n1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 3/20 0.34

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
SCHEMBL16210459 0.80 SSTR4 (0.39)
SCHEMBL16210458 0.80 SSTR4 (0.39)
SCHEMBL16211556 0.79 MAP3K12 (0.35) MAP3K12
SCHEMBL20147254 0.72
SCHEMBL20586014 0.72 RAB9A (0.38) MAP3K12
SCHEMBL20586012 0.72 RAB9A (0.38) MAP3K12
SCHEMBL20586011 0.72 RAB9A (0.38) MAP3K12
SCHEMBL20587746 0.72 RAB9A (0.38) MAP3K12
SCHEMBL16212231 0.67 FFAR1 (0.35) MAP3K12
SCHEMBL16211842 0.67 KMT2A (0.37) MAP3K12

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-2991978-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche SA (CH) 2016-03-09 EP disclosed
WO-2014177060-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed