SCHEMBL15580562

SCHEMBL15580562

O=Nc1cnn(Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
CREBBP Q92793 4/20 0.48
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
CYP19A1 P11511 1/20 0.43
PSD A5PKW4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
LMNA P02545 2/20 0.40
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDK2 Q15119 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ITK Q08881 1/20 0.40
SCD O00767 1/20 0.40

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
SCHEMBL10249223 0.80 EPHB4 (0.43) L3MBTL1HSD17B10ADORA2AADORA1LMNA
SCHEMBL4349419 0.75 L3MBTL1 (0.56) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL6264956 0.74 L3MBTL1 (0.65) L3MBTL1CREBBPPOLBTDP1CYP19A1
SCHEMBL21536474 0.74 SCD5 (0.44) L3MBTL1POLBTDP1HDAC3ADORA2A
SCHEMBL2413457 0.73 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL272966 0.73 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL14920616 0.73 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL130830 0.73 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1CYP19A1
SCHEMBL10283891 0.73 L3MBTL1 (0.62) L3MBTL1CREBBPPOLBTDP1HDAC3
SCHEMBL950986 0.73 MAPT (0.67) L3MBTL1CREBBPPOLBTDP1HDAC3

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
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 EP disclosed