SCHEMBL27400738

SCHEMBL27400738

Cc1c(C#N)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
▸ PKMYT1 Q99640 2/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ KDM1A O60341 1/20 0.34
▸ PARP1 P09874 2/20 0.34
▸ ELANE P08246 2/20 0.34
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.31

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 0.85 LCK (0.37) LCKBTKPKMYT1PRMT5PARP1
SCHEMBL27399330 0.84 DHODH (0.39) LCKBTKGRM2PRMT5CYP11B1
SCHEMBL27399014 0.83 LCK (0.51) LCKBTKPRMT5CYP11B2PARP1
SCHEMBL27398649 0.82 MKNK1 (0.35) LCKBTKPKMYT1PRMT5ADORA2A
SCHEMBL27399921 0.80 PDE4A (0.44) PKMYT1GRM2PRMT5PARP1LMNA
SCHEMBL27399603 0.80 MKNK1 (0.40) LCKBTKPRMT5PARP1ADORA2A
SCHEMBL27399933 0.79 PRMT5 (0.41) LCKBTKPRMT5PARP1LMNA
SCHEMBL27399247 0.78 MKNK1 (0.50) LCKBTKPRMT5PARP1ELANE
SCHEMBL27400004 0.78 IKBKB (0.35) LCKBTKPRMT5PARP1MKNK1
SCHEMBL27400121 0.78 PRMT5 (0.39) LCKBTKPKMYT1PRMT5PARP1

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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