SCHEMBL27686804

SCHEMBL27686804

CCCCNc1nc(CN(C)C)cs1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
STAT1 P42224 1/20 0.47
RAB9A P51151 1/20 0.47
TLR8 Q9NR97 7/20 0.37
TLR7 Q9NYK1 6/20 0.37
CCR4 P51679 1/20 0.36
PDE5A O76074 1/20 0.36
TYR P14679 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPY5R Q15761 2/20 0.34
CYP2D6 P10635 1/20 0.34
DNM2 P50570 2/20 0.33
LMNA P02545 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
SCHEMBL28154659 0.78 NPC1 (0.56) NPC1ALDH1A1MAPTSTAT1RAB9A
SCHEMBL9836855 0.76 NPC1 (0.55) NPC1ALDH1A1MAPTSTAT1RAB9A
SCHEMBL10466181 0.75 NPC1 (0.54) NPC1ALDH1A1MAPTSTAT1RAB9A
SCHEMBL14081441 0.74 SMN1; SMN2 (0.44) NPC1ALDH1A1MAPTRAB9ACCR4
SCHEMBL18398871 0.73 NPC1 (0.51) NPC1ALDH1A1MAPTSTAT1RAB9A
SCHEMBL27705839 0.71 SMN1; SMN2 (0.53) NPC1ALDH1A1MAPTSTAT1RAB9A
SCHEMBL3507053 0.71 NPC1 (0.49) NPC1ALDH1A1MAPTSTAT1RAB9A
SCHEMBL11498389 0.71 PDE5A (0.50) NPC1ALDH1A1MAPTSTAT1RAB9A
SCHEMBL4099165 0.70 RAB9A (0.59) NPC1ALDH1A1MAPTSTAT1RAB9A
SCHEMBL15080346 0.70 MAPT (0.44) NPC1ALDH1A1MAPTSTAT1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128461-B Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI 2010-12-22 CN disclosed
CN-101128461-A Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI (US) 2008-02-20 CN disclosed