SCHEMBL27399583

SCHEMBL27399583

Cc1nc(F)ccc1-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
▸ LIMK1 P53667 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ DHODH Q02127 2/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TGFBR1 P36897 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
▸ ATR Q13535 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 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 0.89 MKNK1 (0.50) MKNK1MKNK2LIMK1PRMT5DHODH
SCHEMBL27399603 0.82 MKNK1 (0.40) MKNK1MKNK2LIMK1PRMT5DHODH
SCHEMBL27399330 0.80 DHODH (0.39) MKNK1MKNK2LIMK1PRMT5DHODH
SCHEMBL27400121 0.80 PRMT5 (0.39) MKNK1MKNK2LIMK1PRMT5DHODH
SCHEMBL27399933 0.79 PRMT5 (0.41) MKNK1MKNK2LIMK1PRMT5DHODH
SCHEMBL30905534 0.78 PKMYT1 (0.42) MKNK1MKNK2PRMT5DHODHPARP1
SCHEMBL27397409 0.78 PKMYT1 (0.42) MKNK1MKNK2PRMT5DHODHPARP1
SCHEMBL27399014 0.78 LCK (0.51) MKNK1MKNK2LIMK1PRMT5DHODH
SCHEMBL27400120 0.77 PRMT5 (0.39) MKNK1MKNK2LIMK1PRMT5DHODH
SCHEMBL27398651 0.76 LCK (0.37) MKNK1MKNK2LIMK1PRMT5DHODH

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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