SCHEMBL27399605

SCHEMBL27399605

Cc1c(O)cccc1-c1c(N)c(C(N)=O)nc2ncccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.38
▸ LCK P06239 4/20 0.38
▸ TEC P42680 2/20 0.37
▸ BMX P51813 2/20 0.37
▸ DHODH Q02127 2/20 0.36
▸ LIMK1 P53667 2/20 0.36
▸ LYN P07948 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ FGR P09769 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ FRK P42685 1/20 0.36
▸ BLK P51451 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MKNK1 Q9BUB5 2/20 0.35
▸ MKNK2 Q9HBH9 2/20 0.35
▸ IKBKB O14920 2/20 0.35

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
SCHEMBL27397363 0.85 PKMYT1 (0.38) BTKLCKTECBMXLIMK1
SCHEMBL30905608 0.85 PKMYT1 (0.38) BTKLCKTECBMXLIMK1
SCHEMBL27400215 0.84 PKMYT1 (0.35) BTKLCKTECBMXLIMK1
SCHEMBL27397531 0.82 WEE1 (0.44) BTKLCKKDM4EPKMYT1WEE1
SCHEMBL27397409 0.81 PKMYT1 (0.42) BTKLCKDHODHKDM4EL3MBTL1
SCHEMBL30905534 0.81 PKMYT1 (0.42) BTKLCKDHODHKDM4EL3MBTL1
SCHEMBL27400008 0.81 PKMYT1 (0.36) BTKLCKFRKACVR1KDM4E
SCHEMBL27400007 0.78 PKMYT1 (0.38) BTKLCKTECBMXFRK
SCHEMBL30905481 0.77 GRM2 (0.46) BTKLCKTECBMXLIMK1
SCHEMBL30905537 0.77 GRM2 (0.39) BTKTECBMXDHODHKDM4E

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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