SCHEMBL27850100

SCHEMBL27850100

Cc1cn(C(C)N)c(C)n1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.30
GSK3B P49841 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8737200 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27479608 0.74
SCHEMBL13274466 0.74 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL27850136 0.70 NOS2 (0.33) ALDH1A1
SCHEMBL23204371 0.70 BRD4 (0.37) ALDH1A1
SCHEMBL27850124 0.68 SPNS2 (0.36)
SCHEMBL27867119 0.68 SPNS2 (0.36)
SCHEMBL27867144 0.68 SPNS2 (0.36)
SCHEMBL27867136 0.68 SPNS2 (0.36)
SCHEMBL27850149 0.68 SPNS2 (0.36)

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-102414241-A Microencapsulated composition containing imidazole compound, curable composition using same, and masterbatch-type curing agent ASAHI KASEI E MATERIALS CORP 2012-04-11 CN disclosed