SCHEMBL27399330

SCHEMBL27399330

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.39
▸ LCK P06239 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ ADORA2A P29274 2/20 0.34
▸ LIMK1 P53667 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ ABL1 P00519 3/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ PIK3R2 O00459 1/20 0.33
▸ TOP1 P11387 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAP4K1 Q92918 2/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ ADORA1 P30542 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
SCHEMBL27398651 0.88 LCK (0.37) DHODHLCKBTKMKNK1MKNK2
SCHEMBL27398649 0.85 MKNK1 (0.35) LCKBTKMKNK1MKNK2PRMT5
SCHEMBL27399603 0.84 MKNK1 (0.40) DHODHLCKBTKMKNK1MKNK2
SCHEMBL27400738 0.84 LCK (0.37) LCKBTKMKNK1MKNK2PRMT5
SCHEMBL27399014 0.83 LCK (0.51) DHODHLCKBTKMKNK1MKNK2
SCHEMBL27399247 0.83 MKNK1 (0.50) DHODHLCKBTKMKNK1MKNK2
SCHEMBL27400120 0.80 PRMT5 (0.39) DHODHMKNK1MKNK2PRMT5LIMK1
SCHEMBL27400004 0.80 IKBKB (0.35) LCKBTKMKNK1MKNK2PRMT5
SCHEMBL27399583 0.80 MKNK1 (0.40) DHODHLCKBTKMKNK1MKNK2
SCHEMBL27399933 0.80 PRMT5 (0.41) DHODHLCKBTKMKNK1MKNK2

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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