SCHEMBL27581053

SCHEMBL27581053

CC1CNCCN1c1ncco1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.39
▸ ROCK1 Q13464 2/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ HTR2C P28335 12/20 0.38
▸ HTR2A P28223 11/20 0.38
▸ HTR2B P41595 10/20 0.38
▸ LATS1 O95835 1/20 0.38

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
SCHEMBL27581051 1.00 GSK3B (0.39) GSK3BROCK1ROCK2HTR2CHTR2A
SCHEMBL20149920 0.75 GSK3B (0.36) GSK3BROCK1ROCK2HTR2CHTR2A
SCHEMBL5797267 0.73 HTR2C (0.48) GSK3BROCK1ROCK2HTR2CHTR2A
SCHEMBL16391491 0.73 LATS1 (0.34) GSK3BROCK1ROCK2HTR2CLATS1
SCHEMBL16391581 0.73 LATS1 (0.34) GSK3BROCK1ROCK2HTR2CHTR2B
SCHEMBL17744671 0.73 LATS1 (0.34) GSK3BROCK1ROCK2HTR2CLATS1
Hydrochloric Acid SCHEMBL2892940 0.72 KDM4E (0.50) GSK3BROCK1ROCK2HTR2CHTR2A
Hydrochloric Acid SCHEMBL16235859 0.72 KDM4E (0.50) GSK3BROCK1ROCK2HTR2CHTR2A
SCHEMBL13931360 0.72 HTR2C (0.53) HTR2CHTR2AHTR2B
SCHEMBL3682101 0.72 HTR2C (0.60) GSK3BHTR2CHTR2AHTR2BLATS1

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-1351497-A Aminopyrimidines as sorbitol dehydrogenase inhibitors PFIZER PROD INC (US) 2002-05-29 — — CN disclosed
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