SCHEMBL7670751

SCHEMBL7670751

Cc1sc(NC(=O)Cc2cn(C)c3ccccc23)c(C(N)=O)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.67
PTPN5 P54829 1/20 0.53
GLS O94925 3/20 0.53
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 2/20 0.50
AIP O00170 1/20 0.50
SGTA O43765 1/20 0.50
TOMM70 O94826 1/20 0.50
STIP1 P31948 1/20 0.50
PPP5C P53041 1/20 0.50
FKBP4 Q02790 1/20 0.50
PPID Q08752 1/20 0.50
FKBP5 Q13451 1/20 0.50
FKBP8 Q14318 1/20 0.50
TOMM34 Q15785 1/20 0.50
DNAJC7 Q99615 1/20 0.50

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
SCHEMBL13126363 0.80 MAPK8 (1.00) MAPK8ALDH1A1MAPTLMNAHTT
SCHEMBL31060214 0.80 MAPK8 (1.00) MAPK8ALDH1A1MAPTLMNAHTT
SCHEMBL6999034 0.77 MAPK8 (0.68) MAPK8ALDH1A1MAPTLMNAHTT
SCHEMBL7505133 0.72 KDM4E (0.67) PTPN5GLSALDH1A1MAPTLMNA
SCHEMBL18180597 0.72 L3MBTL1 (0.66) MAPK8ALDH1A1MAPTLMNAHTT
SCHEMBL588980 0.72 ICMT (0.62) PTPN5ALDH1A1MAPTLMNAGAA
SCHEMBL30958421 0.72 ICMT (0.62) PTPN5ALDH1A1MAPTLMNAGAA
SCHEMBL13126361 0.71 MAPK8 (0.65) MAPK8ALDH1A1MAPTLMNAHTT
SCHEMBL6999036 0.71 ICMT (0.45) MAPK8ALDH1A1MAPTLMNAHTT
Hydrochloric Acid SCHEMBL3155846 0.71 ICMT (0.60) PTPN5ALDH1A1MAPTLMNAGAA

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
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed