SCHEMBL22489552

SCHEMBL22489552

N#Cc1cnc(NCCN)cn1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.71
CHEK2 O96017 3/20 0.41
KCNH2 Q12809 4/20 0.37
NUAK1 O60285 1/20 0.37
RPS6KB1 P23443 1/20 0.37
FLT3 P36888 1/20 0.37
BLK P51451 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37

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
SCHEMBL620157 0.84 CHEK1 (1.00) CHEK1CHEK2KCNH2NUAK1RPS6KB1
SCHEMBL620075 0.79 CHEK1 (0.69) CHEK1CHEK2KCNH2
SCHEMBL20322032 0.78 CHEK1 (0.47) CHEK1CHEK2
SCHEMBL619766 0.76 CHEK1 (1.00) CHEK1CHEK2KCNH2NUAK1RPS6KB1
SCHEMBL619787 0.75 CHEK1 (0.93) CHEK1CHEK2KCNH2NUAK1RPS6KB1
SCHEMBL1119557 0.74 DPP7 (0.50) CHEK1
SCHEMBL24056640 0.72 CHEK1 (0.49) CHEK1
Hydrochloric Acid SCHEMBL1119507 0.72 DPP7 (0.49) CHEK1
Hydrochloric Acid SCHEMBL1960447 0.72 DPP7 (0.49) CHEK1
SCHEMBL13390998 0.72 CHEK1 (0.41) CHEK1

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
WO-2020198526-A2 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-10-01 WO disclosed