SCHEMBL2669813

SCHEMBL2669813

CC(=O)N[C@H](C)c1ccc2c(c1)ncn2-c1ccnc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ACACB O00763 8/20 0.41
FGFR1 P11362 3/20 0.40
SIK1 P57059 2/20 0.39
SIK2 Q9H0K1 2/20 0.39
SIK3 Q9Y2K2 2/20 0.39
HPGD P15428 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL1616138 0.85 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ACACBFGFR1
SCHEMBL2669747 0.83 THRB (0.47) NPC1RAB9ASMN1; SMN2ACACBFGFR1
SCHEMBL13002375 0.81 HPGD (0.54) NPC1RAB9ASMN1; SMN2FGFR1HPGD
SCHEMBL2669850 0.80 LCK (0.41) NPC1RAB9AACACBFGFR1HPGD
SCHEMBL1617120 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ACACBFGFR1
SCHEMBL1616776 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ACACBFGFR1
SCHEMBL1616093 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ACACBFGFR1
SCHEMBL12222392 0.78 FGFR1 (0.66) NPC1RAB9ASMN1; SMN2FGFR1HPGD
SCHEMBL1616031 0.76 NPC1 (0.46) NPC1RAB9ASMN1; SMN2FGFR1HPGD
SCHEMBL1617011 0.76 NPC1 (0.46) NPC1RAB9ASMN1; SMN2FGFR1HPGD

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-2010055127-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2010-05-20 WO disclosed