SCHEMBL31017359

SCHEMBL31017359

CCOC(=O)c1cnc(Nc2ccc(F)cc2)nc1Nc1cccc(OC2CCOCC2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.46
▸ BRD4 O60885 2/20 0.46
▸ SIRT5 Q9NXA8 2/20 0.45
▸ MAPT P10636 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ AURKA O14965 2/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ITK Q08881 1/20 0.42

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
SCHEMBL25670611 1.00 EGFR (0.46) EGFRBRD4SIRT5MAPTSMN1; SMN2
SCHEMBL25670612 0.89 PKMYT1 (0.43) EGFRAURKAJAK2JAK1JAK3
SCHEMBL25669737 0.88 PKMYT1 (0.52) EGFRMAPK1AURKAJAK2JAK3
SCHEMBL25670608 0.86 MAPT (0.47) EGFRMAPTSMN1; SMN2ALOX15TSHR
SCHEMBL25670653 0.75 TYK2 (0.52) EGFRMAPK1AURKAJAK2JAK1
SCHEMBL30465841 0.75 TYK2 (0.52) EGFRMAPK1AURKAJAK2JAK1
SCHEMBL30879124 0.74 MAPT (0.70) SIRT5MAPTSMN1; SMN2ALOX15TSHR
SCHEMBL25670657 0.73 KAT2B (0.52) EGFRMAPK1AURKAJAK2JAK1
SCHEMBL30879367 0.73 SIRT5 (0.64) EGFRBRD4SIRT5MAPTSMN1; SMN2
SCHEMBL30878914 0.72 MAPT (0.60) BRD4SIRT5MAPTSMN1; SMN2ALOX15

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
CN-118401516-A TYK2 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 — — CN disclosed
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