SCHEMBL31002129

SCHEMBL31002129

Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
PKM P14618 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
UCHL1 P09936 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYP1A2 P05177 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
BRD4 O60885 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
ANPEP P15144 1/20 0.34
LAP3 P28838 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL31192860 0.86 DGAT1 (0.46) DGAT1UCHL1NR1H2NR1H3ALDH1A1
SCHEMBL31002287 0.84 DGAT1 (0.45) DGAT1UCHL1NR1H2NR1H3CYP1A2
SCHEMBL31002233 0.81 DGAT1 (0.43) DGAT1UCHL1NR1H2NR1H3CYP1A2
SCHEMBL23070575 0.77 DGAT1 (0.45) DGAT1PKMNR1H2NR1H3ALDH1A1
SCHEMBL29127723 0.76 UCHL1 (0.33) UCHL1
SCHEMBL31727387 0.76 UCHL1 (0.40) UCHL1
SCHEMBL31002447 0.76 DGAT1 (0.44) DGAT1PKMCYP1A2ALDH1A1TSHR
SCHEMBL31416769 0.76 DGAT1 (0.52) DGAT1PRMT5UCHL1CYP1A2ALDH1A1
SCHEMBL15897826 0.75 SMN1; SMN2 (0.46) UCHL1NR1H2NR1H3CYP1A2ALDH1A1
SCHEMBL24553987 0.75 UCHL1 (0.34) UCHL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658662-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS Yuhan Corporation (KR) 2025-12-10 EP disclosed
EP-4658661-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS Yuhan Corporation (KR) 2025-12-10 EP disclosed
EP-4655304-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS Yuhan Corporation (KR) 2025-12-03 EP disclosed
WO-2024177359-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2024-08-29 WO disclosed
WO-2024177360-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2024-08-29 WO disclosed
WO-2024177362-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2024-08-29 WO disclosed