SCHEMBL6511301

SCHEMBL6511301

CC(C)(C)OC(=O)c1c[nH]c2cc(N)ccc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.50
CREBBP Q92793 1/20 0.43
MAPT P10636 1/20 0.41
TUBB1 Q9H4B7 2/20 0.40
IMPDH2 P12268 1/20 0.38

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
SCHEMBL1007089 0.89 NR4A2 (0.50) NR4A2CREBBPMAPT
SCHEMBL1696922 0.84 NR4A2 (0.51) NR4A2CREBBPMAPTTUBB1
SCHEMBL5631381 0.84 NR4A2 (0.70) NR4A2CREBBPMAPTTUBB1
SCHEMBL7360321 0.83 NR4A2 (0.50) NR4A2CREBBPMAPTTUBB1
SCHEMBL5507447 0.83 NR4A2 (0.72) NR4A2CREBBPMAPTTUBB1
SCHEMBL30009696 0.83 NR4A2 (0.50) NR4A2CREBBPMAPTTUBB1
SCHEMBL31618837 0.83 NR4A2 (0.56) NR4A2CREBBPMAPTTUBB1
SCHEMBL4780483 0.82 MAPT (0.63) NR4A2MAPTTUBB1
SCHEMBL1696867 0.81 TUBB1 (0.50) NR4A2CREBBPMAPTTUBB1
SCHEMBL1759575 0.81 NR4A2 (0.48) NR4A2CREBBPMAPTTUBB1

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
WO-2005005429-A1 CERTAIN HETEROCYCLIC SUBSTITUTED IMIDAZO[1,2-A]PYRAZIN-8-YLAMINES AND METHODS OF INHIBITION OF BRUTON’S TYROSINE KINASE BY SUCH COMPOUNDS CELLULAR GENOMICS, INC. (US) 2005-01-20 WO disclosed