SCHEMBL21600953

SCHEMBL21600953

C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1cc(NCc2cccc(S(C)(=O)=O)c2)c(C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.47
▸ FGFR4 P22455 7/20 0.46
▸ FGFR1 P11362 6/20 0.46
▸ FGFR2 P21802 2/20 0.44
▸ FGFR3 P22607 2/20 0.44
▸ JAK2 O60674 4/20 0.41
▸ JAK1 P23458 3/20 0.39
▸ EGFR P00533 2/20 0.39
▸ BTK Q06187 2/20 0.39
▸ TTK P33981 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ TXK P42681 1/20 0.39
▸ BLK P51451 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ TYK2 P29597 1/20 0.39

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
SCHEMBL21600895 0.89 JAK3 (0.48) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600894 0.88 JAK3 (0.49) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600898 0.88 FGFR4 (0.47) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600961 0.88 FGFR1 (0.49) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL21601025 0.87 FGFR4 (0.51) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600899 0.87 FGFR1 (0.49) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL21596368 0.86 FGFR1 (0.48) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600928 0.86 FGFR1 (0.47) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600913 0.86 FGFR1 (0.48) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600972 0.86 FGFR1 (0.48) JAK3FGFR4FGFR1FGFR2FGFR3

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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