SCHEMBL30690764

SCHEMBL30690764

Cn1cc(-c2cc3cc(C(=O)O)cnc3n2COCC[Si](C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
LOXL2 Q9Y4K0 3/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.34
WNT1 P04628 3/20 0.33
GSK3B P49841 3/20 0.33
DYRK1A Q13627 3/20 0.33
MET P08581 1/20 0.33
DGAT1 O75907 3/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL30690679 0.89 PDGFRA (0.40) PIM1PIM2MAPTWNT1GSK3B
SCHEMBL30690821 0.85 PDGFRA (0.38) CHEK1WNT1GSK3BDYRK1AMET
SCHEMBL30690781 0.82 PDGFRA (0.39) WNT1GSK3BDYRK1AMETCLK2
SCHEMBL30690645 0.81 IRAK4 (0.35) PIM1DGAT1
Hydrochloric Acid SCHEMBL30690806 0.81 PDGFRA (0.38) WNT1GSK3BDYRK1AMETCLK2
SCHEMBL30690683 0.80 PDGFRA (0.39) WNT1GSK3BDYRK1ADGAT1CLK2
SCHEMBL30690647 0.80 DYRK1A (0.41) WNT1GSK3BDYRK1ACLK2CLK3
SCHEMBL20597948 0.79 NPC1 (0.39) NPC1MAPTDGAT1
SCHEMBL30690630 0.79 NPC1 (0.39) NPC1MAPTDGAT1
SCHEMBL30690760 0.79 CSF1R (0.40) MAPTWNT1GSK3BDYRK1ACLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed