SCHEMBL29037102

SCHEMBL29037102

N#Cc1cc(-c2cc(N)nc3ncccc23)c2ccccn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.34
KDM4E B2RXH2 6/20 0.32
ALDH1A1 P00352 5/20 0.32
GAA P10253 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GLA P06280 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NCOA3 Q9Y6Q9 2/20 0.32
MPO P05164 1/20 0.32
CDC7 O00311 2/20 0.32
CDK2 P24941 1/20 0.32
TGFBR1 P36897 1/20 0.31
IDO1 P14902 1/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31

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
SCHEMBL29037101 0.85 PRMT5 (0.43) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL28447012 0.74 DYRK1A (0.43) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL17339091 0.73 CDK2 (0.46) KDM4EALDH1A1HTTCDC7CDK2
SCHEMBL14629309 0.66 CHEK1 (0.39) ABCG2KMT2AGLALMNAIDO1
SCHEMBL8626651 0.65 HSP90AA1 (0.46) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL15196988 0.62 ALDH1A1 (0.53) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL15158136 0.62 KDM4E (0.41) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL248261 0.60 ALOX5AP (0.42) ABCG2KDM4EALDH1A1GAAGLA
SCHEMBL14629305 0.59 KDM4E (0.44) ABCG2KDM4EALDH1A1GAAMEN1
SCHEMBL15158090 0.59 FNTA (0.56) KDM4EALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111892579-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-07-25 CN disclosed
CN-111875585-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-06-23 CN disclosed