SCHEMBL23740993

SCHEMBL23740993

O=C(CC1CNCCO1)Nc1cc2ccccc2cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 3/20 0.67
GSK3B P49841 3/20 0.67
DYRK1A Q13627 3/20 0.67
NOTUM Q6P988 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
WNT3A P56704 1/20 0.44
CHEK1 O14757 4/20 0.42
FECH P22830 1/20 0.40
KCNH2 Q12809 1/20 0.40
MTOR P42345 1/20 0.40
ABL1 P00519 2/20 0.40
MKNK1 Q9BUB5 3/20 0.38
SSTR4 P31391 1/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL19515643 0.82 GSK3B (0.72) WNT1GSK3BDYRK1A
SCHEMBL19516467 0.82 GSK3B (0.69) WNT1GSK3BDYRK1A
SCHEMBL30004474 0.82 GSK3B (0.69) WNT1GSK3BDYRK1A
SCHEMBL28221232 0.81 WNT1 (0.49) WNT1GSK3BDYRK1ACHEK1MKNK1
SCHEMBL28895474 0.81 GSK3B (0.70) WNT1GSK3BDYRK1A
SCHEMBL30005747 0.81 GSK3B (1.00) WNT1GSK3BDYRK1A
SCHEMBL19515437 0.81 GSK3B (1.00) WNT1GSK3BDYRK1A
SCHEMBL19515466 0.80 GSK3B (0.74) WNT1GSK3BDYRK1A
SCHEMBL19516224 0.80 GSK3B (0.69) WNT1GSK3BDYRK1A
SCHEMBL28895344 0.80 GSK3B (0.69) WNT1GSK3BDYRK1A

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-3448838-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF BIOSPLICE THERAPEUTICS INC (US) 2021-08-11 EP disclosed