SCHEMBL29922837

SCHEMBL29922837

COC(=O)c1nnc(-c2c(F)cccc2Cl)cc1Nc1ccc(N2CCN(C)CC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.56
▸ JAK2 O60674 5/20 0.56
▸ JAK1 P23458 4/20 0.56
▸ JAK3 P52333 4/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ P2RX7 Q99572 1/20 0.35
▸ WEE1 P30291 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KLKB1 P03952 2/20 0.34
▸ F11 P03951 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ SRC P12931 1/20 0.33

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
SCHEMBL28359224 1.00 TYK2 (0.56) TYK2JAK2JAK1JAK3L3MBTL1
SCHEMBL29551761 0.92 TYK2 (0.57) TYK2JAK2JAK1JAK3L3MBTL1
SCHEMBL28359206 0.91 JAK2 (0.68) TYK2JAK2JAK1JAK3L3MBTL1
SCHEMBL29551775 0.89 TYK2 (0.55) TYK2JAK2JAK1JAK3P2RX7
SCHEMBL28359048 0.89 TYK2 (0.55) TYK2JAK2JAK1JAK3P2RX7
SCHEMBL29922678 0.83 L3MBTL1 (0.42) L3MBTL1SLC6A2SLC6A4
SCHEMBL28362527 0.83 L3MBTL1 (0.42) L3MBTL1SLC6A2SLC6A4
SCHEMBL29922746 0.82 TYK2 (0.81) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL28359040 0.82 TYK2 (0.81) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL29922630 0.80 TYK2 (0.54) TYK2JAK2JAK1JAK3ALDH1A1

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-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 — — CN disclosed
Send feedback