SCHEMBL21601016

SCHEMBL21601016

C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1cc(NCc2c(F)cccc2Cl)c(C#N)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.48
▸ FGFR1 P11362 5/20 0.45
▸ MAP3K7 O43318 2/20 0.45
▸ FGFR2 P21802 1/20 0.45
▸ JAK2 O60674 3/20 0.44
▸ EGFR P00533 2/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TTK P33981 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ TXK P42681 1/20 0.44
▸ BLK P51451 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ ITK Q08881 1/20 0.44
▸ CTSC P53634 1/20 0.44
▸ SRC P12931 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.44
▸ TNK2 Q07912 1/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ FGFR4 P22455 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
SCHEMBL21601024 0.95 JAK3 (0.51) JAK3FGFR1MAP3K7FGFR2JAK2
SCHEMBL21600962 0.91 JAK3 (0.56) JAK3FGFR1FGFR2JAK2EGFR
SCHEMBL21601013 0.88 JAK3 (0.63) JAK3FGFR1MAP3K7JAK2EGFR
SCHEMBL21600955 0.87 JAK3 (0.47) JAK3FGFR1MAP3K7FGFR2JAK2
SCHEMBL21601014 0.84 JAK3 (0.52) JAK3FGFR1MAP3K7FGFR2JAK2
SCHEMBL21601019 0.83 JAK3 (0.66) JAK3FGFR1MAP3K7JAK2EGFR
SCHEMBL21600954 0.83 JAK3 (0.54) JAK3FGFR1MAP3K7FGFR2JAK2
SCHEMBL21600964 0.83 JAK3 (0.60) JAK3FGFR1FGFR2JAK2EGFR
SCHEMBL21600970 0.82 JAK3 (0.55) JAK3FGFR1FGFR2JAK2EGFR
SCHEMBL21600974 0.81 CTSC (0.52) JAK3FGFR1MAP3K7JAK2EGFR

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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