SCHEMBL30690695

SCHEMBL30690695

C[C@H]1CCCN1CC(=O)Nc1cnc(F)c(NC(=O)c2cnc3[nH]c(-c4cnn(C)c4)cc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.48
DYRK1A Q13627 7/20 0.48
WNT1 P04628 6/20 0.48
KIT P10721 3/20 0.37
MLLT1 Q03111 7/20 0.37
ABL1 P00519 1/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MLLT3 P42568 1/20 0.36
CSF1R P07333 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL30690664 0.92 GSK3B (0.49) GSK3BDYRK1AWNT1KITMLLT1
SCHEMBL30690548 0.92 GSK3B (0.49) GSK3BDYRK1AWNT1KITMLLT1
SCHEMBL30690557 0.91 GSK3B (0.47) GSK3BDYRK1AWNT1KITMLLT1
SCHEMBL30690515 0.90 WNT1 (0.46) GSK3BDYRK1AWNT1KITMLLT1
SCHEMBL30690637 0.90 WNT1 (0.46) GSK3BDYRK1AWNT1KITMLLT1
SCHEMBL30690661 0.90 WNT1 (0.46) GSK3BDYRK1AWNT1KITMLLT1
SCHEMBL30690431 0.90 GSK3B (0.38) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690676 0.90 GSK3B (0.38) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690703 0.89 GSK3B (0.50) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690698 0.89 WNT1 (0.51) GSK3BDYRK1AWNT1MLLT1MLLT3

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