SCHEMBL13545129

SCHEMBL13545129

CCC(=O)c1ccnc(NC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
PIK3C3 Q8NEB9 13/20 0.46
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR4A1 P22736 1/20 0.41

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
SCHEMBL22809544 0.87 L3MBTL1 (0.49) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL25229978 0.86 L3MBTL1 (0.47) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL12647584 0.83 KDM4D (0.42) JAK2JAK1TYK2RAB9ANPC1
SCHEMBL10264295 0.83 L3MBTL1 (0.55) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL19736343 0.83 BRD4 (0.48) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL256750 0.81 KDM4D (0.54) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL2998251 0.81 KDM4E (0.49) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL6935872 0.80 JMJD6 (0.51) PIK3C3RAB9ANPC1PKMSMN1; SMN2
SCHEMBL25188111 0.80 L3MBTL1 (0.52) L3MBTL1PIK3C3JAK2JAK1TYK2
SCHEMBL8092962 0.80 L3MBTL1 (0.52) L3MBTL1PIK3C3JAK2JAK1TYK2

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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed