SCHEMBL21601021

SCHEMBL21601021

C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C#N)c(Nc2ccc(F)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 10/20 0.59
▸ JAK3 P52333 3/20 0.59
▸ SRC P12931 9/20 0.57
▸ FGFR1 P11362 6/20 0.57
▸ MAP2K1 Q02750 5/20 0.57
▸ MAPK1 P28482 4/20 0.57
▸ SLC2A1 P11166 1/20 0.54
▸ EGFR P00533 1/20 0.51
▸ TEC P42680 1/20 0.51
▸ SLK Q9H2G2 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ MAPK3 P27361 1/20 0.51

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
SCHEMBL21596307 0.89 JAK3 (0.64) MAP3K7JAK3SRCFGFR1MAP2K1
SCHEMBL21600963 0.87 MAP3K7 (0.50) MAP3K7JAK3SRCFGFR1MAP2K1
SCHEMBL21601004 0.86 JAK3 (0.61) MAP3K7JAK3SRCFGFR1MAP2K1
SCHEMBL21600966 0.85 JAK3 (0.57) MAP3K7JAK3SRCFGFR1MAP2K1
SCHEMBL21600812 0.85 JAK3 (0.56) MAP3K7JAK3SRCFGFR1MAP2K1
SCHEMBL21600950 0.85 JAK3 (0.55) MAP3K7JAK3SRCFGFR1MAP2K1
SCHEMBL21600965 0.84 JAK3 (0.60) MAP3K7JAK3SRCFGFR1MAP2K1
SCHEMBL23581207 0.84 JAK3 (0.61) MAP3K7JAK3SRCFGFR1MAP2K1
SCHEMBL21600967 0.84 JAK3 (0.56) MAP3K7JAK3SRCFGFR1MAP2K1
SCHEMBL21600960 0.84 JAK3 (0.58) MAP3K7JAK3SRCFGFR1MAP2K1

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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