SCHEMBL23916630

SCHEMBL23916630

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
IGF1R P08069 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD4 P21917 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL19546973 0.81 HRH3 (0.43) WNT1GSK3BDYRK1AALDH1A1MAPT
SCHEMBL19546591 0.79 HRH4 (0.56) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL19547082 0.77 HRH4 (0.54) POLBMAPTSMN1; SMN2HRH4
SCHEMBL23916232 0.75 HRH4 (0.39) MAPTHRH4KDM4E
SCHEMBL19546944 0.75 OGA (0.40) ALDH1A1MEN1KMT2AMAPTHRH4
SCHEMBL10147158 0.75 IGF1R (0.59) ALDH1A1MEN1KMT2AIGF1RPOLB
SCHEMBL19546959 0.73 HRH4 (0.38) MAPTHRH4KDM4E
SCHEMBL19546962 0.72 HRH3 (0.43)
SCHEMBL19546754 0.72 HRH4 (0.54) WNT1GSK3BDYRK1AHRH4
SCHEMBL19546657 0.72 OPRD1 (0.43) WNT1GSK3BDYRK1AHRH4

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