SCHEMBL2667372

SCHEMBL2667372

Nc1ccc(Oc2cc(Br)cnc2Nc2nc3cccnc3s2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
MET P08581 3/20 0.36
PDE10A Q9Y233 2/20 0.34
ROCK2 O75116 1/20 0.33
SSTR5 P35346 1/20 0.33
GRM4 Q14833 1/20 0.32
GRM5 P41594 1/20 0.31
PIK3CA P42336 1/20 0.31
BUB1 O43683 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1330485 0.86 GCK (0.38) GCKNPC1RAB9ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1329725 0.85 NPC1 (0.38) GCKNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1330307 0.82 GCK (0.48) GCKNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1328211 0.81 GCK (0.59) GCKNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1331411 0.77 NPC1 (0.41) GCKNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1330094 0.77 GCK (0.41) GCKNPC1RAB9ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1329610 0.76 NPC1 (0.42) GCKNPC1RAB9ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1331182 0.76 GCK (0.41) GCKNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1328103 0.76 GCK (0.49) GCKNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2340655 0.75 GCK (0.60) GCKNPC1RAB9ASMN1; 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
WO-2007117381-A2 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-10-18 WO disclosed