SCHEMBL24800992

SCHEMBL24800992

CN(C)c1ccc2cc(-c3csc4ccccc34)c(N)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.43
▸ TERT O14746 1/20 0.43
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PSMB5 P28074 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ APAF1 O14727 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ C1S P09871 1/20 0.34
▸ PGK1 P00558 1/20 0.33
▸ CDC7 O00311 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
SCHEMBL24800989 0.76 APP (0.57) APPTERTRAB9ANPC1GAA
SCHEMBL24800994 0.75 TERT (0.43) APPTERTRAB9ANPC1PSMB5
SCHEMBL16739391 0.75 TERT (0.49) APPTERTRAB9ANPC1ATM
SCHEMBL18227093 0.75 TERT (0.49) APPTERTRAB9ANPC1ATM
SCHEMBL18227070 0.75 TERT (0.49) APPTERTRAB9ANPC1ATM
SCHEMBL24800997 0.74 CDK5 (0.43) APPTERTRAB9ANPC1MAPT
SCHEMBL31089909 0.74 CDK5 (0.43) APPTERTRAB9ANPC1MAPT
SCHEMBL24800990 0.74 SREBF2 (0.44) APPTERTRAB9ANPC1MAPT
SCHEMBL18227073 0.71 TERT (0.47) APPTERTRAB9ANPC1PSMB5
SCHEMBL11559475 0.70 ERN1 (0.46) RAB9ANPC1GAAMAPTMAPK1

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-2022271676-A1 INDOLE-SUBSTITUTED QUINOLINES AND THEIR COMBINATION WITH PLK1 INHIBITORS FOR THE TREATMENT OF CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-12-29 — — WO disclosed
Send feedback