SCHEMBL27399603

SCHEMBL27399603

Cc1ncncc1-c1c(N)c(C(N)=O)nc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.40
▸ MKNK2 Q9HBH9 2/20 0.40
▸ LCK P06239 2/20 0.38
▸ BTK Q06187 2/20 0.38
▸ LIMK1 P53667 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ CYP17A1 P05093 2/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ LMNA P02545 3/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ CDK9 P50750 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL27399247 0.87 MKNK1 (0.50) MKNK1MKNK2LCKBTKLIMK1
SCHEMBL27399600 0.86 IRAK4 (0.35) MKNK1MKNK2LCKBTKLIMK1
SCHEMBL27399014 0.85 LCK (0.51) MKNK1MKNK2LCKBTKLIMK1
SCHEMBL27399330 0.84 DHODH (0.39) MKNK1MKNK2LCKBTKLIMK1
SCHEMBL27399917 0.84 DHODH (0.34) MKNK1MKNK2LCKBTKLIMK1
SCHEMBL27398651 0.83 LCK (0.37) MKNK1MKNK2LCKBTKLIMK1
SCHEMBL27399583 0.82 MKNK1 (0.40) MKNK1MKNK2LCKBTKLIMK1
SCHEMBL27399933 0.81 PRMT5 (0.41) MKNK1MKNK2LCKBTKLIMK1
SCHEMBL27400006 0.80 DHODH (0.40) LCKBTKLIMK1DHODHIKBKB
SCHEMBL27400004 0.80 IKBKB (0.35) MKNK1MKNK2LCKBTKLIMK1

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
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 — — WO disclosed
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