SCHEMBL27765462

SCHEMBL27765462

CC(C=O)N1CCN(c2ccc(N)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 3/20 0.39
GCK P35557 2/20 0.39
GCKR Q14397 1/20 0.39
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
OGA O60502 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
SUV39H2 Q9H5I1 1/20 0.35
F12 P00748 2/20 0.34
RPS6KA3 P51812 1/20 0.34

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
SCHEMBL611676 0.83 KDM4E (0.53) TRPC6GCKGCKRPIK3CAMTOR
SCHEMBL30664050 0.83 KDM4E (0.53) TRPC6GCKGCKRPIK3CAMTOR
SCHEMBL27563955 0.80 MAPT (0.53) MAPTALDH1A1KDM4EPKMHRH3
SCHEMBL27765461 0.80 TRPC6 (0.44) TRPC6GCKGCKRMAPTALDH1A1
SCHEMBL27765218 0.79 MAPT (0.60) MAPTOGA
SCHEMBL22813083 0.77 TRPC6 (0.42) TRPC6GCKGCKRPIK3CAMTOR
SCHEMBL27833100 0.77 HRH3 (0.43) ALDH1A1KDM4EOGAHRH3
SCHEMBL2723372 0.77 PIK3CA (0.42) TRPC6GCKGCKRPIK3CAMTOR
SCHEMBL29437380 0.77 PIK3CA (0.42) TRPC6GCKGCKRPIK3CAMTOR
SCHEMBL29664444 0.75 MAPT (0.58) PIK3CAMTORMAPTALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101594871-B Pyrrolopyrimidine compounds and their uses NOVARTIS AG 2013-06-19 CN disclosed
CN-101594871-A Pyrrolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2009-12-02 CN disclosed