SCHEMBL22118361

SCHEMBL22118361

C[C@H]1CCCN(c2ncn(C)c3ncnc2-3)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.47
▸ GRM4 Q14833 2/20 0.44
▸ LRRK2 Q5S007 8/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PRKDC P78527 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ GALR3 O60755 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL21981199 1.00 JAK3 (0.47) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL27366298 0.76 JAK3 (0.50) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL20862642 0.67 JAK3 (0.55) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL20862666 0.67 JAK3 (0.55) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL4935278 0.66 KDM4E (0.37) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL18967632 0.66 KHK (0.71) JAK3LRRK2
SCHEMBL4932197 0.66 KDM4E (0.37) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL25668430 0.65 JAK3 (0.53) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL14325245 0.64 GRM4 (0.45) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL20862485 0.64 JAK3 (1.00) JAK3LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025094946-A1 ANTIBODY OR ANTIGEN-BINDING FRAGMENT THEREOF, KIT FOR TREATMENT OF CANCER, AND COMPOSITION FOR TREATMENT OF CANCER 国立大学法人東海国立大学機構 2025-05-08 — — WO disclosed
EP-3897606-A1 ORAL THERAPY USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID Rafael Pharmaceuticals, Inc. (US) 2021-10-27 — — EP disclosed
EP-3897607-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING CANCER USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID AND AN AUTOPHAGY INHIBITOR Rafael Pharmaceuticals, Inc. (US) 2021-10-27 — — EP disclosed
WO-2020132395-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING CANCER USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID AND AN AUTOPHAGY INHIBITOR RAFAEL PHARMACEUTICALS, INC. (US) 2020-06-25 — — WO disclosed
WO-2020132401-A1 ORAL THERAPY USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2020-06-25 — — WO disclosed
WO-2020132397-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING CANCER USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID AND AN AUTOPHAGY INHIBITOR RAFAEL PHARMACEUTICALS, INC. (US) 2020-06-25 — — WO disclosed
Send feedback