SCHEMBL20154930

SCHEMBL20154930

CC(C)(C)OC(=O)N1CCC(Nc2nc(Nc3ccc(C#N)nc3)ncc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.51
CHEK1 O14757 8/20 0.49
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
ALDH1A1 P00352 2/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
NSD2 O96028 1/20 0.47
SYK P43405 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL20154924 0.85 CHEK1 (0.44) CHEK1ALDH1A1JAK2JAK1GPR119
SCHEMBL4067722 0.83 SYK (0.58) IGF1RAURKAAURKBGPR119SYK
SCHEMBL6832459 0.79 SYK (0.57) IGF1RAURKAAURKBALDH1A1GPR119
SCHEMBL20154910 0.78 IGF1R (0.48) IGF1RAURKAAURKBALDH1A1GPR119
SCHEMBL15974468 0.77 GPR119 (0.52) IGF1RALDH1A1JAK2GPR119SYK
SCHEMBL20154980 0.77 IGF1R (0.57) IGF1RAURKAAURKBALDH1A1GPR119
SCHEMBL20154981 0.77 CHEK1 (0.74) IGF1RCHEK1
SCHEMBL20154906 0.77 ALDH1A1 (0.51) ALDH1A1JAK1GPR119NSD2NPC1
SCHEMBL20154982 0.77 ALDH1A1 (0.49) ALDH1A1JAK1GPR119NSD2NPC1
SCHEMBL3270728 0.76 SYK (0.52) IGF1RCHEK1GPR119SYKMAPT

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