SCHEMBL2225620

SCHEMBL2225620

N#Cc1ccc(N2CCCC(CC(N)=O)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.49
CHRM4 P08173 4/20 0.47
PANK3 Q9H999 3/20 0.47
EIF2AK4 Q9P2K8 2/20 0.46
DPP4 P27487 2/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
JAK2 O60674 4/20 0.44
JAK1 P23458 4/20 0.44
JAK3 P52333 4/20 0.44
KCNH2 Q12809 2/20 0.44
CHEK1 O14757 1/20 0.44
NTRK1 P04629 1/20 0.44
PRKCA P17252 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
MAPK10 P53779 1/20 0.44
CCNA1 P78396 1/20 0.44

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
SCHEMBL2225824 0.86 PANK3 (0.53) USP30CHRM4PANK3DPP4DPP8
SCHEMBL30549291 0.86 PANK3 (0.53) USP30CHRM4PANK3DPP4DPP8
SCHEMBL21135514 0.84 MAP4K4 (0.52) CHRM4PANK3DPP4DPP8DPP9
SCHEMBL12683464 0.82 GPR119 (0.46) CHRM4PANK3JAK2JAK1JAK3
SCHEMBL29462081 0.78 RET (0.48) CHRM4PANK3DPP4DPP8DPP9
SCHEMBL2224211 0.78 MAP4K4 (0.50) DPP4DPP8DPP9DPP7PRKCQ
SCHEMBL16718874 0.76 GRM4 (0.48) CHRM4PANK3DPP4DPP8DPP9
SCHEMBL6913383 0.75 PIK3CA (0.52) CHRM4PANK3EIF2AK4DPP4JAK2
SCHEMBL13622620 0.75 KCNH2 (0.55) USP30CHRM4PANK3DPP4DPP8
SCHEMBL16128015 0.75 ALDH1A1 (0.52) USP30

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
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed