SCHEMBL19265503

SCHEMBL19265503

CCOC(=O)C1=Cc2cc(-c3ccc(N4CCOC4=O)cc3)ccc2NC(N=NN)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.36
▸ CMA1 P23946 11/20 0.35
▸ CCNA2 P20248 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CCNA1 P78396 3/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ TNKS O95271 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL19265672 0.90 CMA1 (0.36) LRRK2CMA1IDH1
SCHEMBL19265550 0.86 PKM (0.39) —
SCHEMBL19265523 0.84 TLR8 (0.35) TLR8TLR7
SCHEMBL19265705 0.83 FDFT1 (0.38) TLR8TLR7
SCHEMBL19265638 0.83 KDM4E (0.36) TLR8TLR7
SCHEMBL19265526 0.83 TLR8 (0.40) TLR8TLR7
SCHEMBL19265644 0.81 MMP2 (0.41) TLR8TLR7
SCHEMBL19265449 0.80 TLR8 (0.41) TLR8TLR7
SCHEMBL19265546 0.80 TLR8 (0.33) LRRK2SIRT2SIRT1TLR8TLR7
SCHEMBL19265650 0.77 KDM4E (0.39) TLR8TLR7

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
EP-3208263-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 — — EP disclosed
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