SCHEMBL30690703

SCHEMBL30690703

C[C@@H]1COCCN1CC(=O)Nc1cnc(F)c(NC(=O)c2cnc3[nH]c(-c4cnn(C)c4)cc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.50
DYRK1A Q13627 7/20 0.50
WNT1 P04628 6/20 0.50
GRM2 Q14416 2/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
WDR5 P61964 1/20 0.36
KIT P10721 5/20 0.36
ABL1 P00519 1/20 0.36
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
CSF1R P07333 1/20 0.35
ULK1 O75385 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
SCHEMBL30690480 0.90 WNT1 (0.39) GSK3BDYRK1AWNT1GRM2WDR5
SCHEMBL30690695 0.89 GSK3B (0.48) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690544 0.89 GSK3B (0.46) GSK3BDYRK1AWNT1KITULK1
SCHEMBL30690481 0.85 GSK3B (0.48) GSK3BDYRK1AWNT1CCNCCDK8
SCHEMBL30690768 0.85 GSK3B (0.50) GSK3BDYRK1AWNT1GRM2CCNC
SCHEMBL30690725 0.84 GSK3B (0.48) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690500 0.84 GSK3B (0.41) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690612 0.84 GSK3B (0.47) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690674 0.83 ALDH1A1 (0.42) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690610 0.82 KIT (0.42) GSK3BDYRK1AWNT1GRM2KIT

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