SCHEMBL30331919

SCHEMBL30331919

CC(C)(O)Cn1cc(-c2ncccc2CN)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.45
▸ JAK2 O60674 4/20 0.44
▸ JAK1 P23458 4/20 0.44
▸ TYK2 P29597 4/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ FFAR1 O14842 2/20 0.43
▸ ALOX5AP P20292 4/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ MET P08581 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ PDK2 Q15119 2/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL30332533 0.81 DPP4 (0.43) JAK2JAK1TYK2JAK3FEN1
SCHEMBL30332524 0.80 CCNT1 (0.47) PIM1JAK2JAK1TYK2JAK3
SCHEMBL30332252 0.79 DPP4 (0.41) PIM1JAK2JAK1TYK2JAK3
SCHEMBL30023798 0.72 FFAR1 (0.47) PIM1JAK2JAK1TYK2JAK3
SCHEMBL30607659 0.71 DPP4 (0.41) ALOX5APDPP4
SCHEMBL15782893 0.68 FFAR1 (0.51) PIM1FFAR1ALOX5APFEN1LRRK2
SCHEMBL20400196 0.68 FFAR1 (0.48) PIM1FFAR1ALOX5APFEN1PDK2
SCHEMBL30291170 0.68 FFAR1 (0.45) PIM1JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL23853012 0.68 FFAR1 (0.48) PIM1JAK2JAK1TYK2JAK3
SCHEMBL22182433 0.68 FFAR1 (0.45) PIM1JAK2JAK1TYK2JAK3

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-2023046128-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-30 — — WO disclosed
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