SCHEMBL9070839

SCHEMBL9070839

Cc1csc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCOCC4)cn3)nc(OC(C)C)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
GCK P35557 6/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 3/20 0.42
SCD O00767 1/20 0.41
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
LRRK2 Q5S007 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GABRA5 P31644 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL9070812 0.91 GCK (0.54) POLBGCKNPC1RAB9AMAPT
SCHEMBL2667552 0.89 ALDH1A1 (0.43) GCKNPC1RAB9AMAPTSCD
SCHEMBL2667778 0.88 GCK (0.49) GCKNPC1RAB9ASCDSMN1; SMN2
SCHEMBL9070840 0.88 ALDH1A1 (0.54) POLBMAPTMAPK1SMN1; SMN2LMNA
SCHEMBL2667348 0.84 GCK (0.59) GCKMAPK1ALDH1A1GRM5
SCHEMBL9070911 0.82 GCK (0.46) POLBGCKMAPTSCDMAPK1
SCHEMBL9070943 0.82 GCK (0.45) POLBGCKRAB9AMAPTSCD
SCHEMBL2667351 0.81 GCK (0.48) GCKMAPTSCDMAPK1SMN1; SMN2
SCHEMBL2667566 0.81 HRH3 (0.43) GCKRAB9ASMN1; SMN2KDM4ELRRK2
SCHEMBL2667781 0.81 GCK (0.50) POLBGCKSCDGRM5

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-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed