SCHEMBL13822147

SCHEMBL13822147

CCc1ccc(-c2cccnc2N)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAP4K4 O95819 1/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
AKT1 P31749 8/20 0.38
AKT2 P31751 5/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
AKT3 Q9Y243 2/20 0.36

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
SCHEMBL13771808 0.80 CYP11B1 (0.57) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL18434392 0.78 HTR2A (0.44) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL13662739 0.78 CCR1 (0.52) RPS6KA5SMN1; SMN2MAP4K4NOS3NOS1
SCHEMBL27320492 0.76 AKT1 (0.48) RPS6KA5AKT1AKT2AKT3
SCHEMBL16801759 0.75 NPC1 (0.44) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL15104643 0.75 MAP4K4 (0.42) RPS6KA5NPC1RAB9ASMN1; SMN2MAP4K4
SCHEMBL13659752 0.74 MAP4K4 (0.39) RPS6KA5CYP11B1CYP11B2RAB9AMAP4K4
SCHEMBL7563886 0.74 RAB9A (0.56) NPC1RAB9ASMN1; SMN2
SCHEMBL31280939 0.74 RAB9A (0.56) NPC1RAB9ASMN1; SMN2
SCHEMBL149306 0.74 KDM4E (0.54) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2

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
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 EP disclosed
WO-2009075923-A2 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed