SCHEMBL6221982

SCHEMBL6221982

CC(C)(C)OC(=O)NCCc1ccnc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.52
STK17A Q9UEE5 1/20 0.52
NQO2 P16083 1/20 0.44
AAK1 Q2M2I8 2/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 2/20 0.41
ATR Q13535 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BCHE P06276 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL30467285 1.00 STK17B (0.52) STK17BSTK17ANQO2AAK1LMNA
SCHEMBL445560 0.86 STK17B (0.48) STK17BSTK17AAAK1LMNAGAA
SCHEMBL3909008 0.82 STK17B (0.55) STK17BSTK17AAAK1ALDH1A1ATR
SCHEMBL14907973 0.80 STK17B (0.65) STK17BSTK17AAAK1GAAMEN1
SCHEMBL25235633 0.79 PLAAT3 (0.40) HPGDGAAALDH1A1SMN1; SMN2PKM
SCHEMBL24920682 0.77 CA12 (0.50) STK17BSTK17ALMNAALDH1A1SMN1; SMN2
SCHEMBL30212271 0.77 CA12 (0.50) STK17BSTK17ALMNAALDH1A1SMN1; SMN2
SCHEMBL4424813 0.77 MEN1 (0.52) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4408246 0.76 KDM4E (0.47) STK17BSTK17ANQO2HTTNPSR1
SCHEMBL6422837 0.76 NQO2 (0.49) NQO2LMNAMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043151-A Pyrimidine or pyridine derivative and medical application thereof 希格生科(深圳)有限公司 2023-11-10 CN disclosed
WO-2023109751-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE AND MEDICINAL USE THEREOF 希格生科(深圳)有限公司 2023-06-22 WO disclosed
WO-2023109751-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE AND MEDICINAL USE THEREOF 希格生科(深圳)有限公司 2023-06-22 WO disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed