SCHEMBL21600915

SCHEMBL21600915

C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1ncc(C#N)c(Nc2ccc(O)cc2F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.49
▸ EGFR P00533 2/20 0.49
▸ MAPK3 P27361 9/20 0.48
▸ FGFR1 P11362 6/20 0.47
▸ FGFR4 P22455 2/20 0.47
▸ KDR P35968 3/20 0.47
▸ AURKA O14965 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ RET P07949 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ PRKACA P17612 1/20 0.47

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
SCHEMBL21600812 0.91 JAK3 (0.56) JAK3EGFRMAPK3FGFR1FGFR4
SCHEMBL25139904 0.89 JAK3 (0.52) JAK3EGFRMAPK3FGFR1FGFR4
SCHEMBL30043973 0.89 JAK3 (0.52) JAK3EGFRMAPK3FGFR1FGFR4
SCHEMBL21600757 0.87 MAPK3 (0.55) JAK3EGFRMAPK3FGFR1MAP2K1
SCHEMBL30379294 0.87 MAPK3 (0.55) JAK3EGFRMAPK3FGFR1MAP2K1
SCHEMBL21600754 0.86 JAK3 (0.52) JAK3EGFRMAPK3FGFR1FGFR4
SCHEMBL30379585 0.86 MAPK3 (0.52) JAK3EGFRMAPK3FGFR1FGFR4
SCHEMBL21600786 0.86 MAPK3 (0.52) JAK3EGFRMAPK3FGFR1FGFR4
SCHEMBL21600760 0.86 JAK3 (0.51) JAK3EGFRMAPK3FGFR1FGFR4
SCHEMBL23606780 0.86 MAPK3 (0.53) JAK3EGFRMAPK3FGFR1FGFR4

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
Send feedback