SCHEMBL10622776

SCHEMBL10622776

CC(C)Nc1nccnc1C(=O)Nc1nnn[nH]1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PRKAB2 O43741 1/20 0.30
▸ PRKAG1 P54619 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ PRKAA1 Q13131 1/20 0.30
▸ PRKAG3 Q9UGI9 1/20 0.30
▸ PRKAG2 Q9UGJ0 1/20 0.30
▸ PRKAB1 Q9Y478 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ PRKCI P41743 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
SCHEMBL10776251 0.79 KDM4E (0.38) GRM5KDM4EALDH1A1MAPTPRKCI
SCHEMBL13715689 0.77 KDM4E (0.49) KDM4EALDH1A1MAPTPRKCI
SCHEMBL10593982 0.76 TDP1 (0.33) GRM5KDM4EALDH1A1MAPTPRKCI
SCHEMBL12411093 0.75 SCD (0.37) GRM5LRRK2KDM4EALDH1A1MAPT
SCHEMBL10595043 0.73 PIM1 (0.41) GRM5ALDH1A1MAPT
SCHEMBL10937760 0.72 KIT (0.45) GRM5KDM4EALDH1A1MAPT
SCHEMBL13715949 0.70 RAB9A (0.35) KDM4EALDH1A1MAPT
SCHEMBL10366750 0.70 GRM5 (0.39) GRM5ALDH1A1
SCHEMBL7996780 0.70 MAPK1 (0.42) GRM5LRRK2
SCHEMBL30610259 0.70 MAPK1 (0.42) GRM5LRRK2

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-4792547-A Pyrazine-2-carboxamide derivatives useful in treating allergic disease HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1988-12-20 — — US claimed
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