SCHEMBL29862819

SCHEMBL29862819

O=C(Nc1ccc(Br)c2cccnc12)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
TP53 P04637 1/20 0.74
MEN1 O00255 3/20 0.65
KDR P35968 2/20 0.62
SLC40A1 Q9NP59 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
HDAC6 Q9UBN7 3/20 0.52
EPHX1 P07099 1/20 0.51
HPGD P15428 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL23360257 1.00 KMT2A (0.74) KMT2ATP53MEN1KDRSLC40A1
SCHEMBL28778056 0.89 KDR (0.62) KMT2ATP53MEN1KDRTDP1
SCHEMBL20554412 0.86 KMT2A (0.60) KMT2ATP53MEN1TDP1HDAC6
SCHEMBL30132520 0.86 KMT2A (0.60) KMT2ATP53MEN1TDP1HDAC6
SCHEMBL31307866 0.85 KMT2A (1.00) KMT2ATP53MEN1KDRSLC40A1
SCHEMBL23493914 0.85 KMT2A (1.00) KMT2ATP53MEN1KDRSLC40A1
SCHEMBL29158781 0.85 CYP1A2 (0.63) KMT2ATP53MEN1KDRTDP1
SCHEMBL29158821 0.85 KMT2A (0.68) KMT2ATP53MEN1KDRTDP1
SCHEMBL28891850 0.84 KDR (0.63) KMT2ATP53MEN1KDRTDP1
SCHEMBL28434027 0.84 KDR (0.63) KMT2ATP53MEN1KDRTDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461670-B Novel compounds as inhibitors of rearrangement kinase during transfection 南京天印健华医药科技有限公司 2024-08-09 CN disclosed
CN-111777593-B Novel compounds as inhibitors of rearrangement kinase during transfection 南京天印健华医药科技有限公司 2024-07-23 CN disclosed
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
CN-115925685-B Triheteroaryltertiary amine and synthesis method thereof 南昌大学 2023-05-16 CN disclosed
CN-115925685-A Tri-heteroaryl tertiary amine and synthesis method thereof 南昌大学 2023-04-07 CN disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed