SCHEMBL30690763

SCHEMBL30690763

Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1cnc2c(c1)cc(I)n2COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.36
DYRK1A Q13627 4/20 0.36
WNT1 P04628 3/20 0.36
HRH3 Q9Y5N1 5/20 0.36
MCHR1 Q99705 1/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
RAD52 P43351 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 2/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.32
HDAC3 O15379 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
SCHEMBL30690797 0.88 GSK3B (0.44) GSK3BDYRK1AWNT1HRH3MCHR1
SCHEMBL30690765 0.87 HRH3 (0.34) GSK3BDYRK1AWNT1HRH3MCHR1
SCHEMBL30690779 0.87 GSK3B (0.35) GSK3BDYRK1AWNT1HRH3MCHR1
SCHEMBL30690663 0.81 GSK3B (0.43) GSK3BDYRK1AWNT1HRH3SMN1; SMN2
SCHEMBL30690691 0.78 AURKB (0.37) GSK3BDYRK1AWNT1HRH3KMT2A
SCHEMBL30690774 0.76 GSK3B (0.41) GSK3BDYRK1AWNT1HRH3SMN1; SMN2
SCHEMBL30690775 0.76 CSF1R (0.37) GSK3BDYRK1AWNT1HRH3HDAC3
SCHEMBL30690658 0.75 CSF1R (0.40) GSK3BDYRK1AWNT1HRH3HDAC3
SCHEMBL27275735 0.71 KIT (0.40) GSK3BDYRK1AWNT1HRH3MCHR1
SCHEMBL30710731 0.70 HRH3 (0.45) GSK3BDYRK1AWNT1HRH3KMT2A

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 disclosed