SCHEMBL23409127

SCHEMBL23409127

COCCOc1ccc(Nc2ncc3c(n2)N3)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.53
▸ CDK4 P11802 1/20 0.53
▸ CCND1 P24385 1/20 0.53
▸ CCND2 P30279 1/20 0.53
▸ CCND3 P30281 1/20 0.53
▸ SYK P43405 4/20 0.46
▸ EGFR P00533 6/20 0.45
▸ BTK Q06187 5/20 0.45
▸ ITK Q08881 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ TEC P42680 1/20 0.45
▸ TXK P42681 1/20 0.45
▸ BMX P51813 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ CD69 Q07108 1/20 0.45
▸ AURKA O14965 1/20 0.42
▸ KCNH3 Q9ULD8 1/20 0.41

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
SCHEMBL19533535 0.77 BRAF (0.54) BRAFCDK4CCND1CCND2CCND3
SCHEMBL19544927 0.76 SYK (0.57) BRAFCDK4CCND1CCND2CCND3
SCHEMBL29575809 0.76 BRAF (0.65) BRAFCDK4CCND1CCND2CCND3
SCHEMBL31688432 0.76 BRAF (0.52) BRAFCDK4CCND1CCND2CCND3
SCHEMBL15987166 0.76 BRAF (0.55) BRAFCDK4CCND1CCND2CCND3
SCHEMBL17409829 0.76 BRAF (0.55) BRAFCDK4CCND1CCND2CCND3
SCHEMBL22909438 0.75 SYK (0.56) BRAFCDK4CCND1CCND2CCND3
SCHEMBL29729055 0.75 SYK (0.56) BRAFCDK4CCND1CCND2CCND3
SCHEMBL19544928 0.75 MAPT (0.52) BRAFCDK4CCND1CCND2CCND3
SCHEMBL19754300 0.74 MAPT (0.54) BRAFCDK4CCND1CCND2CCND3

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-2021099842-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO INC. (CA) 2021-05-27 — — WO disclosed
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