SCHEMBL27399597

SCHEMBL27399597

NC(=O)c1nc2cccnc2c(-c2cncc3sccc23)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 3/20 0.37
▸ IKBKB O14920 2/20 0.34
▸ CHUK O15111 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ LCK P06239 2/20 0.33
▸ BTK Q06187 2/20 0.33
▸ DYRK1A Q13627 2/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ PRKACA P17612 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
SCHEMBL27400004 0.78 IKBKB (0.35) LIMK1IKBKBLCKBTKDYRK1A
SCHEMBL27400870 0.78 SYK (0.36) LIMK1LCKBTKDYRK1ACDK9
SCHEMBL27398651 0.78 LCK (0.37) LIMK1IKBKBLMNALCKBTK
SCHEMBL27399014 0.77 LCK (0.51) LIMK1IKBKBLMNALCKBTK
SCHEMBL27399330 0.77 DHODH (0.39) LIMK1LMNALCKBTKPARP1
SCHEMBL27399603 0.76 MKNK1 (0.40) LIMK1IKBKBLMNALCKBTK
SCHEMBL27398649 0.75 MKNK1 (0.35) IKBKBLMNALCKBTKMAPK1
SCHEMBL27400006 0.74 DHODH (0.40) LIMK1IKBKBLCKBTKCDK2
SCHEMBL27399247 0.74 MKNK1 (0.50) LIMK1IKBKBLMNALCKBTK
SCHEMBL27399933 0.73 PRMT5 (0.41) LIMK1IKBKBLMNALCKBTK

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
Send feedback