SCHEMBL29707255

SCHEMBL29707255

COC(=O)c1ccc(C)c(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 4/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
LCK P06239 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
SCHEMBL23246323 1.00 L3MBTL1 (0.44) L3MBTL1MAPTALDH1A1KDM4ECYP2C9
SCHEMBL23246313 1.00 L3MBTL1 (0.44) L3MBTL1MAPTALDH1A1KDM4ECYP2C9
SCHEMBL28739389 0.91 ALDH1A1 (0.44) L3MBTL1MAPTALDH1A1KDM4ELMNA
SCHEMBL29842235 0.85 PYGL (0.45) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL29842354 0.85 CYP17A1 (0.45) MAPTALDH1A1KDM4ECYP2C9LMNA
SCHEMBL29842108 0.85 KDM4E (0.38) L3MBTL1MAPTALDH1A1KDM4ELCK
SCHEMBL10318265 0.84 ALDH1A1 (0.50) L3MBTL1MAPTALDH1A1KDM4ECYP2C9
SCHEMBL29842325 0.82 ABCC9 (0.39) ALDH1A1KDM4ELCK
SCHEMBL23265853 0.82 EGLN2 (0.38) ALDH1A1LMNAPOLBNPSR1
SCHEMBL28739391 0.82 EGLN2 (0.38) ALDH1A1LMNAPOLBNPSR1

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-4045494-A1 SYNTHESIS OF 6-METHYL-N1-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE Esco Aster Pte. Ltd. (SG) 2022-08-24 EP disclosed
CN-114585615-A Synthesis of 6-methyl-N1- (4- (pyridin-3-yl) pyrimidin-2-yl) benzene-1, 3-diamine 新加坡艺思高艾斯特生物科技有限公司 2022-06-03 CN disclosed