SCHEMBL28313606

SCHEMBL28313606

Cc1ncn(-c2ncccn2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ MAPK10 P53779 4/20 0.33
▸ JUN P05412 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ KCNJ1 P48048 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ HDAC8 Q9BY41 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
SCHEMBL18209005 0.77 KCNJ1 (0.34) LMNAMAPTPDE4AKCNJ1
SCHEMBL13045111 0.75 SMN1; SMN2 (0.47) LMNAMAPT
SCHEMBL20604766 0.73 HDAC8 (0.31) HDAC8
SCHEMBL20168441 0.72 KCNJ1 (0.37) LMNAMAPTPDE4AKCNJ1
SCHEMBL28835722 0.72 DYRK1A (0.31) —
SCHEMBL30714963 0.72 PDE4A (0.33) PDE4A
SCHEMBL21893500 0.71 ALOX5AP (0.38) LMNAMAPTALOX5AP
SCHEMBL31352427 0.71 HSD11B1 (0.43) ALOX5AP
SCHEMBL7044640 0.71 HPGD (0.49) LMNAMAPTMAPK10
Hydrochloric Acid SCHEMBL29639682 0.71 HSP90AA1 (0.40) —

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-110139862-A It can be used as the bicyclic heterocycles derivative of ROMK channel inhibitor being substituted 百时美施贵宝公司 2019-08-16 — — CN disclosed
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