SCHEMBL30445019

SCHEMBL30445019

Cc1cc(-n2cc(CO)cn2)ncc1C#N

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL20574774 1.00 KCNJ1 (0.48) KCNJ1KCNH2
SCHEMBL20177023 0.90 KCNJ1 (0.50) KCNJ1KCNH2
SCHEMBL20575044 0.86 KCNJ1 (0.46) KCNJ1KCNH2
SCHEMBL30445165 0.86 KCNJ1 (0.46) KCNJ1KCNH2
SCHEMBL30751801 0.84 KCNJ1 (0.48) KCNJ1KCNH2
SCHEMBL20168606 0.84 KCNJ1 (0.48) KCNJ1KCNH2
SCHEMBL24135269 0.81 KCNJ1 (0.41) KCNJ1KCNH2
SCHEMBL20168349 0.80 NOTUM (0.47) KCNJ1KCNH2
SCHEMBL30444905 0.80 NOTUM (0.47) KCNJ1KCNH2
SCHEMBL20574603 0.79 KCNJ1 (0.40) KCNJ1KCNH2

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-110678463-B Substituted nitrogen-containing compounds 百时美施贵宝公司 2023-06-06 CN disclosed