SCHEMBL30690768

SCHEMBL30690768

C[C@H]1CN(CC(=O)Nc2cnc(F)c(NC(=O)c3cnc4[nH]c(-c5cnn(C)c5)cc4c3)c2)CCO1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.50
DYRK1A Q13627 10/20 0.50
WNT1 P04628 8/20 0.50
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
GRM2 Q14416 3/20 0.36
KIT P10721 3/20 0.36
ABL1 P00519 1/20 0.36
WNT3A P56704 1/20 0.35
AKT1 P31749 1/20 0.35
CSF1R P07333 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
SCHEMBL30690577 0.92 GSK3B (0.41) GSK3BDYRK1AWNT1GRM2KIT
SCHEMBL30690725 0.92 GSK3B (0.48) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690544 0.90 GSK3B (0.46) GSK3BDYRK1AWNT1KITWNT3A
SCHEMBL30690612 0.87 GSK3B (0.47) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690562 0.87 GSK3B (0.45) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690662 0.87 GSK3B (0.45) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690461 0.86 WNT3A (0.42) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690552 0.86 GSK3B (0.38) GSK3BDYRK1AWNT1GRM2KIT
SCHEMBL30690514 0.85 GSK3B (0.46) GSK3BDYRK1AWNT1KITABL1
SCHEMBL30690703 0.85 GSK3B (0.50) GSK3BDYRK1AWNT1CCNCCDK8

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