SCHEMBL23916232

SCHEMBL23916232

C=Cc1ccnc(N2CCN(C(C)(C)C)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.39
ADRB1 P08588 1/20 0.36
MAPT P10636 2/20 0.35
HTR3A P46098 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RAD52 P43351 1/20 0.34
UBE2N P61088 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
PIK3CA P42336 1/20 0.33
SORD Q00796 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL19546959 0.88 HRH4 (0.38) HRH4ADRB1MAPTHTR3AGAA
SCHEMBL19546591 0.83 HRH4 (0.56) HRH4MAPTHTR3AGAAKDM4E
SCHEMBL19547082 0.81 HRH4 (0.54) HRH4ADRB1MAPTRAB9APIK3CA
SCHEMBL27013486 0.80 GRIN2D (0.50) HRH4ADRB1MAPTKDM4EGRIN2D
SCHEMBL16095652 0.80 HRH4 (0.42) HRH4ADRB1MAPTHTR3AGAA
SCHEMBL19546973 0.79 HRH3 (0.43) HRH4MAPTKDM4EHRH3SORD
SCHEMBL19546944 0.79 OGA (0.40) HRH4MAPTKDM4EL3MBTL1
SCHEMBL16333432 0.78 HRH3 (0.42) HRH4ADRB1MAPTHTR3AGAA
SCHEMBL18591788 0.78 ADRB1 (0.48) HRH4ADRB1MAPTHTR3AKDM4E
SCHEMBL19546962 0.76 HRH3 (0.43) HRH3

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
EP-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed