SCHEMBL21601014

SCHEMBL21601014

C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1cc(NCc2ccc(O)cc2)c(C#N)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.52
▸ JAK1 P23458 5/20 0.52
▸ HTR2A P28223 1/20 0.49
▸ HTR6 P50406 1/20 0.49
▸ JAK2 O60674 3/20 0.46
▸ FGFR1 P11362 3/20 0.45
▸ FGFR2 P21802 1/20 0.45
▸ CTSC P53634 1/20 0.45
▸ MAP3K7 O43318 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ TTK P33981 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ TXK P42681 1/20 0.43
▸ BLK P51451 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ SRC P12931 1/20 0.42

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
SCHEMBL21600973 0.92 JAK3 (0.55) JAK3JAK1HTR2AHTR6JAK2
SCHEMBL21600970 0.89 JAK3 (0.55) JAK3JAK1HTR2AHTR6JAK2
SCHEMBL21600954 0.89 JAK3 (0.54) JAK3JAK1HTR2AHTR6JAK2
SCHEMBL21600961 0.87 FGFR1 (0.49) JAK3JAK1HTR2AHTR6JAK2
SCHEMBL21601022 0.87 JAK3 (0.68) JAK3JAK1JAK2FGFR1MAP3K7
SCHEMBL21600964 0.87 JAK3 (0.60) JAK3JAK1HTR2AHTR6JAK2
SCHEMBL21601024 0.87 JAK3 (0.51) JAK3JAK1HTR2AHTR6JAK2
SCHEMBL21596368 0.86 FGFR1 (0.48) JAK3JAK1HTR2AHTR6JAK2
SCHEMBL21600955 0.85 JAK3 (0.47) JAK3JAK1HTR2AHTR6JAK2
SCHEMBL21600899 0.85 FGFR1 (0.49) JAK3JAK1HTR2AHTR6JAK2

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-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 — — WO disclosed
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