SCHEMBL29972741

SCHEMBL29972741

CN(C)c1nc(N)c(F)c(-c2cc[nH]n2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
SMARCA2 P51531 1/20 0.33
PDPK1 O15530 1/20 0.32

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
SCHEMBL29972979 0.80
SCHEMBL29973291 0.77 NOS1 (0.33) PDPK1
SCHEMBL29972355 0.73 PKM (0.37) GAAPKMLMNAGLAPOLB
SCHEMBL29973303 0.72 KDM4E (0.38) GAAKMT2AALDH1A1KDM4EMAPT
SCHEMBL29972906 0.70 IDH1 (0.40) KMT2AMAPT
SCHEMBL28875448 0.63 TRPA1 (0.31)
SCHEMBL20161346 0.62 TGFBR1 (0.34)
SCHEMBL4559392 0.61 XDH (0.42) ALDH1A1KDM4EMAPTLMNAGLA
SCHEMBL20090330 0.60 IDH1 (0.31)
SCHEMBL1673128 0.60

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