SCHEMBL21601024

SCHEMBL21601024

C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1cc(NCc2c(F)cccc2F)c(C#N)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.51
▸ FGFR1 P11362 4/20 0.47
▸ FGFR2 P21802 1/20 0.47
▸ CTSC P53634 1/20 0.47
▸ JAK2 O60674 2/20 0.45
▸ KDR P35968 1/20 0.44
▸ JAK1 P23458 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ TTK P33981 2/20 0.43
▸ FGFR4 P22455 2/20 0.43
▸ RPS6KB2 Q9UBS0 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ TXK P42681 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ ITK Q08881 1/20 0.42
▸ MAP3K7 O43318 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
SCHEMBL21601016 0.95 JAK3 (0.48) JAK3FGFR1FGFR2CTSCJAK2
SCHEMBL21600962 0.94 JAK3 (0.56) JAK3FGFR1FGFR2CTSCJAK2
SCHEMBL21600955 0.88 JAK3 (0.47) JAK3FGFR1FGFR2CTSCJAK2
SCHEMBL21601019 0.88 JAK3 (0.66) JAK3FGFR1JAK2KDRJAK1
SCHEMBL21601014 0.87 JAK3 (0.52) JAK3FGFR1FGFR2CTSCJAK2
SCHEMBL21600954 0.86 JAK3 (0.54) JAK3FGFR1FGFR2CTSCJAK2
SCHEMBL21600964 0.86 JAK3 (0.60) JAK3FGFR1FGFR2CTSCJAK2
SCHEMBL21600970 0.85 JAK3 (0.55) JAK3FGFR1FGFR2CTSCJAK2
SCHEMBL21600963 0.84 MAP3K7 (0.50) JAK3FGFR1FGFR2CTSCJAK2
SCHEMBL21600974 0.84 CTSC (0.52) JAK3FGFR1CTSCJAK2EGFR

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
Send feedback