SCHEMBL29037101

SCHEMBL29037101

N#Cc1cc(-c2cc(N)nc3cccnc23)c2ccccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
TOP1 P11387 7/20 0.36
KDM4E B2RXH2 5/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HIF1A Q16665 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MTOR P42345 2/20 0.32
PIK3CA P42336 1/20 0.32
MPO P05164 1/20 0.31
CDC7 O00311 2/20 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
SCHEMBL29037102 0.85 ABCG2 (0.34) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL28447012 0.73 DYRK1A (0.43) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL17339091 0.72 CDK2 (0.46) KDM4EALDH1A1CDC7CDK2HSP90AA1
SCHEMBL23676516 0.64 PRMT5 (0.68) PRMT5TOP1KDM4ELMNAMAPT
SCHEMBL15158136 0.62 KDM4E (0.41) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL15196988 0.62 ALDH1A1 (0.53) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL15158090 0.61 FNTA (0.56) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL20035184 0.59 HRH4 (0.46) PRMT5KDM4ELMNAMAPTHIF1A
SCHEMBL17339164 0.57 MAPT (0.46) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL21917612 0.57 KDM4E (0.46) KDM4ELMNAMAPTHIF1AMEN1

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