SCHEMBL30210356

SCHEMBL30210356

COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)cn3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MAPT P10636 4/20 0.57
USP2 O75604 2/20 0.57
DNMT1 P26358 6/20 0.57
DNMT3A Q9Y6K1 5/20 0.57
DNMT3L Q9UJW3 2/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.44
MYC P01106 1/20 0.44
MAP2K3 P46734 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL30180389 1.00 KMT2A (0.57) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL19151435 1.00 KMT2A (0.57) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL25826601 0.93 DNMT1 (0.53) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL22793632 0.90 MAPT (0.59) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL30180758 0.90 DNMT1 (0.69) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL19151433 0.90 DNMT1 (0.69) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL31125056 0.90 DNMT1 (0.69) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL19151333 0.89 MAPT (0.60) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL30180798 0.87 KMT2A (0.59) KMT2AMAPTUSP2DNMT1DNMT3A
SCHEMBL19151411 0.87 KMT2A (0.59) KMT2AMAPTUSP2DNMT1DNMT3A

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-115867562-A AKT3 modulators 乔治穆内有限责任公司 2023-03-28 CN disclosed