SCHEMBL21600973

SCHEMBL21600973

C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1cc(NCc2ccc(OC)cc2)c(C#N)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.55
▸ JAK1 P23458 3/20 0.50
▸ CTSC P53634 4/20 0.49
▸ FGFR1 P11362 2/20 0.48
▸ MAPK3 P27361 1/20 0.48
▸ FGFR2 P21802 1/20 0.48
▸ FGFR4 P22455 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ TTK P33981 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ TXK P42681 1/20 0.46
▸ BLK P51451 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ ITK Q08881 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45

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
SCHEMBL21600970 0.94 JAK3 (0.55) JAK3JAK1CTSCFGFR1MAPK3
SCHEMBL21600904 0.93 FGFR4 (0.56) JAK3FGFR1MAPK3FGFR2FGFR4
SCHEMBL21600964 0.92 JAK3 (0.60) JAK3JAK1CTSCFGFR1MAPK3
SCHEMBL21601014 0.92 JAK3 (0.52) JAK3JAK1CTSCFGFR1FGFR2
SCHEMBL21601023 0.88 JAK3 (0.71) JAK3JAK1MAPK3JAK2EGFR
SCHEMBL21600954 0.87 JAK3 (0.54) JAK3JAK1CTSCFGFR1FGFR2
SCHEMBL21600962 0.85 JAK3 (0.56) JAK3JAK1CTSCFGFR1FGFR2
SCHEMBL21600969 0.85 JAK3 (0.53) JAK3JAK1CTSCFGFR1FGFR2
SCHEMBL21600961 0.85 FGFR1 (0.49) JAK3JAK1FGFR1MAPK3FGFR2
SCHEMBL21601024 0.85 JAK3 (0.51) JAK3JAK1CTSCFGFR1FGFR2

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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