SCHEMBL13439747

SCHEMBL13439747

CCC1CNc2ccc(NC(=O)c3cc(N4CCC(O)CC4)cc(N4CCOCC4)n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.42
BRAF P15056 10/20 0.42
AKT1 P31749 2/20 0.40
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
GBA1 P04062 2/20 0.38
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
EML4 Q9HC35 1/20 0.37
ALK Q9UM73 1/20 0.37

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
SCHEMBL13439743 0.83 RAF1 (0.42) RAF1BRAFAKT1RAB9AALDH1A1
SCHEMBL11926323 0.79 ALDH1A1 (0.43) RAF1BRAFRAB9AALDH1A1MAPT
SCHEMBL13439938 0.77 MAPT (0.43) RAF1BRAFAKT1RAB9AALDH1A1
SCHEMBL11926320 0.76 GBA1 (0.45) RAF1BRAFRAB9AALDH1A1MAPT
SCHEMBL13439917 0.75 DGAT1 (0.47) RAF1BRAFRAB9AALDH1A1MAPT
SCHEMBL11926333 0.73 MAPT (0.47) RAF1BRAFRAB9AALDH1A1MAPT
SCHEMBL13439915 0.73 MAPT (0.40) RAF1BRAFRAB9AALDH1A1MAPT
SCHEMBL13439960 0.72 RAF1 (0.44) RAF1BRAFAKT1RAB9AALDH1A1
SCHEMBL3112249 0.71 KMO (0.49) ALDH1A1MAPTSMN1; SMN2GBA1
SCHEMBL3112513 0.69 DGAT1 (0.47) RAB9AALDH1A1MAPTNPC1GBA1

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
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed