SCHEMBL16429378

SCHEMBL16429378

CC1=CCCC(Nc2ncccc2Oc2ccccc2C#N)=N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.55
HPGD P15428 6/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.35
SCN9A Q15858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP3 P42574 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL1328169 0.71 GCK (1.00) GCKHPGDALDH1A1GAASCN9A
SCHEMBL1329252 0.71 GCK (0.69) GCKHPGDALDH1A1NPC1RAB9A
SCHEMBL12126257 0.67 GCK (0.63) GCKHPGDALDH1A1NPC1RAB9A
SCHEMBL1329540 0.65 GCK (0.48) GCKALDH1A1NPC1RAB9APOLB
SCHEMBL7054403 0.64 GAA (0.64) GCKHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL28242322 0.64 GAA (0.51) GCKHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL8431375 0.63 GAA (0.62) GCKALDH1A1SMN1; SMN2POLBGAA
SCHEMBL16429528 0.62 GRM5 (0.34) GCKALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28625665 0.62 AR (0.61) GCKNPC1RAB9ASMN1; SMN2POLB
SCHEMBL7108791 0.61 MAP4K4 (0.52) GCKHPGDALDH1A1SMN1; SMN2POLB

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
EP-2543667-B1 A method of preparing 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC (US) 2015-01-28 EP disclosed