SCHEMBL6638569

SCHEMBL6638569

Cc1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
METAP1 P53582 1/20 0.50
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
CRHR1 P34998 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
XPO1 O14980 1/20 0.45
DPP4 P27487 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6645913 0.84 MAPT (0.53) RAB9AGAAKMT2AALDH1A1LMNA
SCHEMBL1078698 0.83 RAB9A (0.54) RAB9ANPC1METAP1PRKAB2PRKAG1
SCHEMBL13233294 0.81 RAB9A (0.51) RAB9ANPC1METAP1PRKAB2PRKAG1
SCHEMBL10733599 0.81 RAB9A (0.51) RAB9ANPC1METAP1PRKAB2PRKAG1
SCHEMBL1042193 0.80 RAB9A (0.54) RAB9ANPC1METAP1PRKAB2PRKAG1
SCHEMBL3601165 0.80 RAB9A (0.54) RAB9ANPC1METAP1PRKAB2PRKAG1
SCHEMBL5093662 0.80 RAB9A (0.54) RAB9ANPC1METAP1PRKAB2PRKAG1
SCHEMBL4219951 0.80 RAB9A (0.56) RAB9ANPC1METAP1PRKAB2PRKAG1
SCHEMBL8348152 0.79 RAB9A (0.50) RAB9ANPC1METAP1PRKAB2PRKAG1
SCHEMBL6639726 0.79 RAB9A (0.61) RAB9ANPC1METAP1PRKAB2PRKAG1

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