SCHEMBL21600970

SCHEMBL21600970

C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1cc(NCc2cc(OC)cc(OC)c2)c(C#N)cn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.55
▸ FGFR4 P22455 5/20 0.50
▸ CTSC P53634 2/20 0.49
▸ FGFR1 P11362 2/20 0.48
▸ FGFR2 P21802 1/20 0.48
▸ MAPK3 P27361 1/20 0.47
▸ JAK1 P23458 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ TTK P33981 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ TXK P42681 1/20 0.46
▸ BLK P51451 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ ITK Q08881 1/20 0.46
▸ HTR2A P28223 1/20 0.45
▸ HTR6 P50406 1/20 0.45

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 0.94 JAK3 (0.55) JAK3FGFR4CTSCFGFR1FGFR2
SCHEMBL21600964 0.94 JAK3 (0.60) JAK3CTSCFGFR1FGFR2MAPK3
SCHEMBL21601014 0.89 JAK3 (0.52) JAK3CTSCFGFR1FGFR2JAK1
SCHEMBL21601005 0.88 JAK3 (0.71) JAK3MAPK3JAK1JAK2EGFR
SCHEMBL21600904 0.87 FGFR4 (0.56) JAK3FGFR4FGFR1FGFR2MAPK3
SCHEMBL21600954 0.87 JAK3 (0.54) JAK3CTSCFGFR1FGFR2JAK1
SCHEMBL21600969 0.85 JAK3 (0.53) JAK3FGFR4CTSCFGFR1FGFR2
SCHEMBL21600962 0.85 JAK3 (0.56) JAK3FGFR4CTSCFGFR1FGFR2
SCHEMBL21601024 0.85 JAK3 (0.51) JAK3FGFR4CTSCFGFR1FGFR2
SCHEMBL21600955 0.83 JAK3 (0.47) JAK3FGFR4CTSCFGFR1FGFR2

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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