SCHEMBL16370405

SCHEMBL16370405

CCC(C)(C(=O)O)c1nnc(-c2nn(COCC[Si](C)(C)C)c3nc(C)ccc23)nc1O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.33
▸ PDE5A O76074 11/20 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
SCHEMBL16370404 0.86 DGAT1 (0.39) DGAT1PDE5A
SCHEMBL16370484 0.78 DGAT1 (0.39) DGAT1PDE5A
SCHEMBL17766175 0.77 PDE5A (0.38) DGAT1PDE5A
SCHEMBL18671464 0.75 PDE5A (0.32) PDE5A
SCHEMBL16370332 0.72 PDE5A (0.38) DGAT1PDE5A
SCHEMBL16370265 0.71 PDE5A (0.63) PDE5A
SCHEMBL16370351 0.70 PDE5A (0.62) PDE5A
SCHEMBL18671467 0.68 PDE5A (0.33) PDE5A
Acetic Acid SCHEMBL17766178 0.67 NPC1 (0.36) DGAT1
SCHEMBL16370085 0.67 DGAT1 (0.33) DGAT1

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-3019506-A1 BENZYL-1H-PYRAZOLO[3,4-B]PYRIDINES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-05-18 — — EP disclosed
WO-2015004105-A1 BENZYL-1H-PYRAZOLO[3,4-B]PYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 — — WO disclosed
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