SCHEMBL31205407

SCHEMBL31205407

COc1c(Cl)ccn2ncc(I)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPBWR1 P48145 5/20 0.35
▸ MCHR1 Q99705 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ EPHB3 P54753 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL31204956 0.82 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL31204928 0.81 GAA (0.38) GAAALDH1A1KMT2ANPBWR1MCHR1
SCHEMBL27199421 0.77 GAA (0.35) GAAALDH1A1KMT2ANPBWR1KDM4E
SCHEMBL25757242 0.77 DRD4 (0.39) GAAALDH1A1KMT2ANPBWR1MCHR1
SCHEMBL31205135 0.76 ALDH1A1 (0.47) GAAALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL25757240 0.75 EPHB3 (0.42) GAAALDH1A1KMT2ANPBWR1MCHR1
SCHEMBL27199432 0.73 IRAK4 (0.37) ALDH1A1KMT2AKDM4EEPHB3MAPT
SCHEMBL29548248 0.71 MAPK14 (0.40) ALDH1A1KMT2AKDM4EHSD17B10NPC1
SCHEMBL31205187 0.71 DRD2 (0.48) ALDH1A1KMT2ANPBWR1MCHR1SMN1; SMN2
SCHEMBL2295471 0.70 IRAK4 (0.39) GAAALDH1A1KDM4EHSD17B10MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727941-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2026-04-22 — — EP disclosed
WO-2024255164-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 — — WO disclosed
WO-2024254834-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 — — WO disclosed
WO-2024255885-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 — — WO disclosed
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