SCHEMBL21601005

SCHEMBL21601005

C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C#N)c(NCc2cc(OC)cc(OC)c2)n1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.71
▸ EGFR P00533 4/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ JAK1 P23458 1/20 0.57
▸ TTK P33981 1/20 0.57
▸ FLT3 P36888 1/20 0.57
▸ TXK P42681 1/20 0.57
▸ BLK P51451 1/20 0.57
▸ BTK Q06187 1/20 0.57
▸ ITK Q08881 1/20 0.57
▸ MAPK3 P27361 6/20 0.54

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
SCHEMBL21601023 0.94 JAK3 (0.71) JAK3EGFRJAK2JAK1TTK
SCHEMBL21601022 0.89 JAK3 (0.68) JAK3EGFRJAK2JAK1TTK
SCHEMBL21600970 0.88 JAK3 (0.55) JAK3EGFRJAK2JAK1TTK
SCHEMBL21600949 0.87 JAK3 (0.67) JAK3EGFRJAK2JAK1TTK
SCHEMBL21601008 0.86 JAK3 (0.71) JAK3EGFRJAK2JAK1TTK
SCHEMBL21601019 0.85 JAK3 (0.66) JAK3EGFRJAK2JAK1TTK
SCHEMBL21601004 0.84 JAK3 (0.61) JAK3EGFRJAK2JAK1TTK
SCHEMBL17209856 0.83 JAK3 (1.00) JAK3EGFRJAK2JAK1TTK
SCHEMBL21600965 0.82 JAK3 (0.60) JAK3EGFRTTKFLT3BLK
SCHEMBL21600973 0.82 JAK3 (0.55) JAK3EGFRJAK2JAK1TTK

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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