SCHEMBL27400754

SCHEMBL27400754

Cc1c(-c2c(N)c(C(N)=O)nc3cccnc23)cnn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PRMT5 O14744 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ LCK P06239 2/20 0.34
▸ BTK Q06187 2/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CDK19 Q9BWU1 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ SYK P43405 1/20 0.33

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
SCHEMBL27399335 0.85 PRMT5 (0.39) KDM4EPRMT5LCKBTKCCNC
SCHEMBL27400870 0.82 SYK (0.36) KDM4EPRMT5LCKBTKCCNC
SCHEMBL27399247 0.81 MKNK1 (0.50) KDM4EALDH1A1PRMT5LCKBTK
SCHEMBL27399933 0.81 PRMT5 (0.41) KDM4EALDH1A1PRMT5LCKBTK
SCHEMBL27399014 0.80 LCK (0.51) PRMT5LCKBTKPARP1MKNK1
SCHEMBL27399603 0.79 MKNK1 (0.40) KDM4EALDH1A1PRMT5LCKBTK
SCHEMBL27400752 0.78 DYRK1A (0.38) KDM4EALDH1A1PARP1LIMK1EGFR
SCHEMBL27398651 0.78 LCK (0.37) KDM4EPRMT5LCKBTKPARP1
SCHEMBL30905534 0.77 PKMYT1 (0.42) KDM4EPRMT5LCKBTKPARP1
SCHEMBL27397409 0.77 PKMYT1 (0.42) KDM4EPRMT5LCKBTKPARP1

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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