SCHEMBL21600951

SCHEMBL21600951

C=CC(=O)Nc1cc(N2CCOCC2)ccc1Nc1ncc(C#N)c(Nc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.57
▸ BTK Q06187 4/20 0.56
▸ JAK3 P52333 5/20 0.53
▸ JAK2 O60674 2/20 0.52
▸ JAK1 P23458 2/20 0.52
▸ TTK P33981 1/20 0.52
▸ SRC P12931 2/20 0.51
▸ TYK2 P29597 1/20 0.50
▸ MAP3K7 O43318 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MAP2K1 Q02750 1/20 0.50
▸ FLT3 P36888 1/20 0.49
▸ BLK P51451 1/20 0.49

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
SCHEMBL21600950 0.93 JAK3 (0.55) EGFRJAK3SRCMAP3K7FGFR1
SCHEMBL21600914 0.88 JAK3 (0.54) EGFRBTKJAK3JAK2SRC
SCHEMBL21596307 0.87 JAK3 (0.64) EGFRJAK3SRCMAP3K7FGFR1
SCHEMBL21596327 0.87 EGFR (0.62) EGFRBTKJAK3
SCHEMBL15938574 0.85 SRC (0.69) EGFRBTKJAK3JAK2SRC
SCHEMBL21601021 0.83 MAP3K7 (0.59) EGFRJAK3SRCMAP3K7FGFR1
SCHEMBL21600766 0.82 FGFR1 (0.54) EGFRBTKJAK3JAK2SRC
SCHEMBL21600812 0.81 JAK3 (0.56) EGFRBTKJAK3JAK2TTK
SCHEMBL25139779 0.81 EGFR (0.57) EGFRBTKJAK3SRCFGFR1
SCHEMBL30331101 0.81 EGFR (0.57) EGFRBTKJAK3SRCFGFR1

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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