SCHEMBL30690486

SCHEMBL30690486

Cc1ncc(NC(=O)CN2CCCC3(CC3)C2)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.41
DYRK1A Q13627 15/20 0.41
WNT1 P04628 13/20 0.41
KIT P10721 2/20 0.41
CSF1R P07333 1/20 0.41
CHRM1 P11229 1/20 0.40
PDGFRA P16234 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GRM2 Q14416 1/20 0.37
ABL1 P00519 1/20 0.36

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
SCHEMBL30690744 0.96 DYRK1A (0.43) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690447 0.96 DYRK1A (0.46) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690738 0.92 GSK3B (0.49) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690451 0.92 GSK3B (0.39) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690525 0.91 GSK3B (0.42) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690587 0.91 GSK3B (0.46) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690654 0.91 GSK3B (0.46) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL27273394 0.91 GSK3B (0.46) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690585 0.91 GSK3B (0.40) GSK3BDYRK1AWNT1KITCSF1R
SCHEMBL30690436 0.91 GSK3B (0.41) GSK3BDYRK1AWNT1KITCSF1R

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