SCHEMBL20154907

SCHEMBL20154907

CC(C)(C)OC(=O)NCCNc1nc(N)ncc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.49
STK17A Q9UEE5 1/20 0.49
LATS1 O95835 1/20 0.46
BCHE P06276 1/20 0.44
BRD4 O60885 3/20 0.43
MALT1 Q9UDY8 1/20 0.43
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
SUV39H2 Q9H5I1 2/20 0.41
CSNK1D P48730 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 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
SCHEMBL25949191 0.86 STK17B (0.50) STK17BSTK17ALATS1BCHEBRD4
SCHEMBL2723366 0.85 STK17B (0.67) STK17BSTK17ALATS1BCHEBRD4
SCHEMBL19490770 0.79 MALT1 (0.48) STK17BSTK17ALATS1BCHEBRD4
SCHEMBL3784707 0.79 STK17B (0.47) STK17BSTK17ALATS1BCHEBRD4
SCHEMBL3868126 0.79 STK17B (0.79) STK17BSTK17ABRD4CA12CA1
SCHEMBL22448667 0.78 P2RX3 (0.42) STK17BSTK17ALATS1BCHEMALT1
SCHEMBL20155234 0.77 IRAK1 (0.51) STK17BSTK17ALATS1
SCHEMBL3336071 0.76 HRH4 (0.60) LATS1BCHE
SCHEMBL20154908 0.76 ALOX5AP (0.44) STK17BSTK17ALATS1BCHEBRD4
SCHEMBL12968580 0.75 STK17B (0.48) STK17BSTK17ALATS1BCHEBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3530656-B1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF UNIV ZHEJIANG (CN) 2022-01-05 EP disclosed
EP-3530656-A1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF Zhejiang University (CN) 2019-08-28 EP disclosed
WO-2018086547-A1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF 浙江大学 2018-05-17 WO disclosed