SCHEMBL27398651

SCHEMBL27398651

Cc1c(O)cncc1-c1c(N)c(C(N)=O)nc2cccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.32
▸ PKMYT1 Q99640 4/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ WEE1 P30291 2/20 0.32
▸ 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

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
SCHEMBL27399330 0.88 DHODH (0.39) LCKBTKPRMT5PARP1MKNK1
SCHEMBL27400120 0.88 PRMT5 (0.39) PRMT5KDM4EPARP1MKNK1MKNK2
SCHEMBL27397409 0.86 PKMYT1 (0.42) LCKBTKPRMT5KDM4EPARP1
SCHEMBL30905534 0.86 PKMYT1 (0.42) LCKBTKPRMT5KDM4EPARP1
SCHEMBL27398649 0.86 MKNK1 (0.35) LCKBTKPRMT5KDM4EMKNK1
SCHEMBL27400738 0.85 LCK (0.37) LCKBTKPRMT5PARP1MKNK1
SCHEMBL27399014 0.84 LCK (0.51) LCKBTKPRMT5PARP1MKNK1
SCHEMBL27399916 0.83 PRMT5 (0.38) PRMT5KDM4EPARP1MKNK1MKNK2
SCHEMBL27399927 0.83 LIMK1 (0.37) PRMT5KDM4EPARP1MKNK1MKNK2
SCHEMBL27399603 0.83 MKNK1 (0.40) LCKBTKPRMT5KDM4EPARP1

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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