SCHEMBL29780366

SCHEMBL29780366

Nc1ccc2nc(-c3cc[nH]n3)[nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
UBE2N P61088 1/20 0.33
KMT2A Q03164 1/20 0.33
CA5A P35218 1/20 0.33
METAP2 P50579 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA1 P30542 2/20 0.30

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
SCHEMBL4371289 0.73 GAA (0.65) GAAMEN1POLBBLMUBE2N
SCHEMBL31154260 0.70 GAA (0.49) GAAMEN1POLBBLMUBE2N
SCHEMBL29941412 0.68 NPC1 (0.62) GAAPOLBMETAP2KDM4ENPC1
SCHEMBL546102 0.68 NPC1 (0.62) GAAPOLBMETAP2KDM4ENPC1
SCHEMBL4842304 0.68 DYRK1A (0.37) KDM4ELMNAMAPTPKMSMN1; SMN2
SCHEMBL4235899 0.67 MEN1 (0.30) MEN1KMT2ALMNAADORA1
SCHEMBL5578315 0.67
SCHEMBL28385965 0.66 BACE1 (0.44) PLAU
SCHEMBL17336302 0.64 ALDH1A1 (0.61) GAAKDM4ENPC1LMNAMAPT
SCHEMBL13733893 0.64 KDM4E (0.37) KDM4ENPC1RAB9AADORA1

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
CN-114761013-A Methods of treating myelofibrosis and related disorders 迪斯克医药公司 2022-07-15 CN disclosed