SCHEMBL30690609

SCHEMBL30690609

Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1cnc2[nH]c(-c3cnco3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.49
DYRK1A Q13627 4/20 0.49
WNT1 P04628 3/20 0.49
HRH3 Q9Y5N1 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
MLLT1 Q03111 9/20 0.35
MLLT3 P42568 2/20 0.35
CHRM2 P08172 1/20 0.35
PIM1 P11309 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.35
TRIB2 Q92519 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL30690762 0.89 GSK3B (0.38) GSK3BDYRK1AWNT1HRH3SMN1; SMN2
SCHEMBL30690527 0.88 GSK3B (0.37) GSK3BDYRK1AWNT1HRH3SMN1; SMN2
SCHEMBL30690471 0.87 MLLT1 (0.41) GSK3BDYRK1AWNT1HRH3SMN1; SMN2
SCHEMBL30690696 0.86 GSK3B (0.38) GSK3BDYRK1AWNT1HRH3SMN1; SMN2
SCHEMBL30690710 0.86 KIT (0.49) GSK3BDYRK1AWNT1HRH3SMN1; SMN2
SCHEMBL30690529 0.85 GSK3B (0.37) GSK3BDYRK1AWNT1HRH3SMN1; SMN2
SCHEMBL30690516 0.85 GSK3B (0.37) GSK3BDYRK1AWNT1HRH3SMN1; SMN2
SCHEMBL30690504 0.85 HRH3 (0.39) GSK3BDYRK1AWNT1HRH3SMN1; SMN2
SCHEMBL30690636 0.85 HRH3 (0.36) GSK3BDYRK1AWNT1HRH3SMN1; SMN2
SCHEMBL30690464 0.85 KIT (0.42) GSK3BDYRK1AWNT1HRH3SMN1; SMN2

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-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO claimed