SCHEMBL27399014

SCHEMBL27399014

Cc1ccncc1-c1c(N)c(C(N)=O)nc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.51
▸ BTK Q06187 1/20 0.51
▸ PRMT5 O14744 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ DHODH Q02127 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ IKBKB O14920 2/20 0.36
▸ MAP4K1 Q92918 5/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL27399933 0.87 PRMT5 (0.41) LCKBTKPRMT5TDP1DHODH
SCHEMBL27399603 0.85 MKNK1 (0.40) LCKBTKPRMT5TDP1DHODH
SCHEMBL27398651 0.84 LCK (0.37) LCKBTKPRMT5DHODHLMNA
SCHEMBL27400006 0.83 DHODH (0.40) LCKBTKTDP1DHODHIKBKB
SCHEMBL27399330 0.83 DHODH (0.39) LCKBTKPRMT5DHODHLMNA
SCHEMBL27399247 0.83 MKNK1 (0.50) LCKBTKPRMT5TDP1DHODH
SCHEMBL27400738 0.83 LCK (0.37) LCKBTKPRMT5LMNAMAP4K1
SCHEMBL27398649 0.81 MKNK1 (0.35) LCKBTKPRMT5LMNAIKBKB
SCHEMBL27400121 0.81 PRMT5 (0.39) LCKBTKPRMT5DHODHLMNA
SCHEMBL27400004 0.81 IKBKB (0.35) LCKBTKPRMT5IKBKBPARP1

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