SCHEMBL6639726

SCHEMBL6639726

FC(F)(F)c1ccc(NCCNc2ncccn2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
NPC1 O15118 3/20 0.61
METAP1 P53582 1/20 0.52
ALDH1A1 P00352 2/20 0.50
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
TDP1 Q9NUW8 1/20 0.43
DPP4 P27487 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
CSF1R P07333 1/20 0.41
KIT P10721 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 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
SCHEMBL6636158 0.84 PKM (0.52) RAB9ANPC1METAP1PRKAB2PRKAG1
SCHEMBL10733599 0.79 RAB9A (0.51) RAB9ANPC1METAP1ALDH1A1PRKAB2
SCHEMBL6638569 0.79 RAB9A (0.51) RAB9ANPC1METAP1ALDH1A1PRKAB2
SCHEMBL1042193 0.79 RAB9A (0.54) RAB9ANPC1METAP1ALDH1A1PRKAB2
SCHEMBL1078698 0.79 RAB9A (0.54) RAB9ANPC1METAP1ALDH1A1PRKAB2
SCHEMBL3601165 0.79 RAB9A (0.54) RAB9ANPC1METAP1ALDH1A1PRKAB2
SCHEMBL5093662 0.79 RAB9A (0.54) RAB9ANPC1METAP1ALDH1A1PRKAB2
SCHEMBL8348152 0.78 RAB9A (0.50) RAB9ANPC1METAP1ALDH1A1PRKAB2
SCHEMBL11935676 0.77 RAB9A (0.49) RAB9ANPC1METAP1ALDH1A1PRKAB2
SCHEMBL13233294 0.76 RAB9A (0.51) RAB9ANPC1METAP1ALDH1A1PRKAB2

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-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed