SCHEMBL21600969

SCHEMBL21600969

C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1cc(NCc2ccc(F)cc2OC)c(C#N)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.53
▸ FGFR1 P11362 6/20 0.52
▸ FGFR2 P21802 1/20 0.52
▸ CTSC P53634 5/20 0.50
▸ FGFR4 P22455 3/20 0.46
▸ EGFR P00533 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 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
▸ FGFR3 P22607 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
SCHEMBL21600901 0.93 FGFR1 (0.54) JAK3FGFR1FGFR2CTSCFGFR4
SCHEMBL21600955 0.92 JAK3 (0.47) JAK3FGFR1FGFR2CTSCFGFR4
SCHEMBL21600962 0.89 JAK3 (0.56) JAK3FGFR1FGFR2CTSCFGFR4
SCHEMBL21600970 0.85 JAK3 (0.55) JAK3FGFR1FGFR2CTSCFGFR4
SCHEMBL21600973 0.85 JAK3 (0.55) JAK3FGFR1FGFR2CTSCFGFR4
SCHEMBL21600900 0.85 FGFR1 (0.48) JAK3FGFR1FGFR2FGFR4EGFR
SCHEMBL21601024 0.85 JAK3 (0.51) JAK3FGFR1FGFR2CTSCFGFR4
SCHEMBL21600918 0.84 FGFR1 (0.49) JAK3FGFR1FGFR2FGFR4FGFR3
SCHEMBL21600964 0.84 JAK3 (0.60) JAK3FGFR1FGFR2CTSCEGFR
SCHEMBL21600963 0.83 MAP3K7 (0.50) JAK3FGFR1FGFR2CTSCFGFR4

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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