SCHEMBL30902000

SCHEMBL30902000

CC=Cc1c[nH]nc1C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.32
HRH4 Q9H3N8 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
SCHEMBL6664260 0.85 CCNC (0.30)
SCHEMBL29952738 0.79 ERN1 (0.32)
SCHEMBL9799881 0.72 ALDH1A1 (0.34) PDPK1
SCHEMBL169065 0.71
SCHEMBL15667911 0.71
SCHEMBL13735546 0.70 IDO1 (0.33) PDPK1
SCHEMBL956225 0.69
SCHEMBL27744212 0.68 JAK2 (0.37)
SCHEMBL9081285 0.68 IKBKB (0.39)
SCHEMBL12655180 0.67

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
CN-118063480-A Benzopyran ring-containing spiroindole compound and preparation method thereof 扬州大学 2024-05-24 CN disclosed