SCHEMBL29973303

SCHEMBL29973303

CN(C)c1ncc(-c2cc[nH]n2)c(N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
PDPK1 O15530 1/20 0.37
PIK3CA P42336 1/20 0.33
DYRK1A Q13627 9/20 0.33
LMNA P02545 2/20 0.33
DYRK3 O43781 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
JAK3 P52333 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
PNCK Q6P2M8 1/20 0.31
HASPIN Q8TF76 1/20 0.31
DYRK2 Q92630 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
SCHEMBL30587088 0.80 IRAK4 (0.41) DYRK1A
SCHEMBL29973049 0.79 DHFR (0.42) KMT2APIK3CA
SCHEMBL30505055 0.74 NPC1 (0.32) ALDH1A1MAPT
SCHEMBL27865729 0.73 MAPK1 (0.54) JAK3
SCHEMBL29972663 0.72 PDPK1 (0.40) ALDH1A1KMT2APKMPDPK1CLK4
SCHEMBL29972741 0.72 GAA (0.35) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL4235899 0.68 MEN1 (0.30) KMT2ALMNA
SCHEMBL6049514 0.66 KDM4E (0.52) KDM4EALDH1A1MAPTGAADYRK1A
SCHEMBL27698162 0.65
SCHEMBL23030123 0.64 ALDH1A1 (0.44) KDM4EALDH1A1MAPTGAAKMT2A

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-115381832-A Treatment of cancer 深圳明赛瑞霖药业有限公司 2022-11-25 CN disclosed