SCHEMBL27400006

SCHEMBL27400006

NC(=O)c1nc2cccnc2c(-c2cnccc2C(F)(F)F)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.40
▸ CYP11B2 P19099 2/20 0.37
▸ LCK P06239 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ CCNC P24863 2/20 0.34
▸ CDK8 P49336 2/20 0.34
▸ HASPIN Q8TF76 2/20 0.34
▸ CD38 P28907 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CDK19 Q9BWU1 1/20 0.34
▸ CFTR P13569 1/20 0.33
▸ TOP1 P11387 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 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
SCHEMBL27399008 0.86 PIK3CA (0.39) SMN1; SMN2TOP1TRPV1ADORA2AADORA1
SCHEMBL27399917 0.84 DHODH (0.34) DHODHLCKBTKSMN1; SMN2L3MBTL1
SCHEMBL27399014 0.83 LCK (0.51) DHODHCYP11B2LCKBTKABL1
SCHEMBL27399603 0.80 MKNK1 (0.40) DHODHLCKBTKSMN1; SMN2L3MBTL1
SCHEMBL27399330 0.78 DHODH (0.39) DHODHCYP11B2LCKBTKABL1
SCHEMBL27400004 0.78 IKBKB (0.35) LCKBTKLIMK1IKBKB
SCHEMBL27398651 0.77 LCK (0.37) DHODHLCKBTKABL1KDM4E
SCHEMBL27399247 0.76 MKNK1 (0.50) DHODHLCKBTKSMN1; SMN2L3MBTL1
SCHEMBL27399600 0.75 IRAK4 (0.35) DHODHLCKBTKLIMK1IKBKB
SCHEMBL27399933 0.75 PRMT5 (0.41) DHODHLCKBTKSMN1; SMN2L3MBTL1

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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