SCHEMBL27366298

SCHEMBL27366298

CC1CCCN(c2ncnc3ncn(C)c23)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.50
▸ NPC1 O15118 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TP53 P04637 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ LRRK2 Q5S007 8/20 0.45
▸ GRM4 Q14833 2/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4935278 0.76 KDM4E (0.37) JAK3NPC1MAPTRAB9ATP53
SCHEMBL22118361 0.76 JAK3 (0.47) JAK3NPC1MAPTRAB9ATP53
SCHEMBL21981199 0.76 JAK3 (0.47) JAK3NPC1MAPTRAB9ATP53
SCHEMBL20862666 0.69 JAK3 (0.55) JAK3NPC1MAPTRAB9ATP53
SCHEMBL20862642 0.69 JAK3 (0.55) JAK3NPC1MAPTRAB9ATP53
SCHEMBL4932197 0.68 KDM4E (0.37) JAK3NPC1MAPTRAB9ATP53
SCHEMBL25668430 0.68 JAK3 (0.53) JAK3NPC1MAPTRAB9ATP53
SCHEMBL20775208 0.67 ENPP1 (0.40) —
SCHEMBL19725048 0.67 JAK3 (0.51) JAK3NPC1MAPTRAB9ATP53
SCHEMBL3954391 0.67 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 — — WO disclosed
Send feedback