SCHEMBL30690772

SCHEMBL30690772

C[Si](C)(C)CCOCn1c(I)cc2cc(C#N)cnc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.34
HPGDS O60760 2/20 0.33
DGAT1 O75907 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL30690778 1.00 PTGER4 (0.34) PTGER4HPGDSDGAT1NPC1MAPT
SCHEMBL30877382 0.84 PTGER4 (0.33) PTGER4HPGDSDGAT1NPC1MAPT
SCHEMBL25786674 0.84 DGAT1 (0.35) DGAT1NPC1MAPT
SCHEMBL21115272 0.81 DGAT1 (0.36) DGAT1NPC1MAPT
SCHEMBL30877390 0.79 DGAT1 (0.33) DGAT1IRAK4
SCHEMBL30690645 0.79 IRAK4 (0.35) DGAT1IRAK4
SCHEMBL27215214 0.78 HPGDS (0.36) HPGDSDGAT1IRAK4
SCHEMBL29705384 0.78 HPGDS (0.36) HPGDSDGAT1IRAK4
SCHEMBL30690630 0.78 NPC1 (0.39) DGAT1NPC1MAPT
SCHEMBL1417723 0.77 DGAT1 (0.39) PTGER4HPGDSDGAT1IRAK4

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