SCHEMBL30690744

SCHEMBL30690744

Cc1ncc(NC(=O)CN2CCC3(CCC3)C2)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 12/20 0.43
GSK3B P49841 11/20 0.43
WNT1 P04628 10/20 0.43
KIT P10721 5/20 0.41
CSF1R P07333 1/20 0.41
CHRM1 P11229 1/20 0.38
PDGFRA P16234 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ABL1 P00519 1/20 0.36
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 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
SCHEMBL30690447 0.97 DYRK1A (0.46) DYRK1AGSK3BWNT1KITCSF1R
SCHEMBL30690486 0.96 GSK3B (0.41) DYRK1AGSK3BWNT1KITCSF1R
SCHEMBL30690436 0.94 GSK3B (0.41) DYRK1AGSK3BWNT1KITCSF1R
SCHEMBL30690738 0.93 GSK3B (0.49) DYRK1AGSK3BWNT1KITCSF1R
SCHEMBL30690525 0.93 GSK3B (0.42) DYRK1AGSK3BWNT1KITCSF1R
SCHEMBL30690585 0.92 GSK3B (0.40) DYRK1AGSK3BWNT1KITCSF1R
SCHEMBL30690723 0.92 KIT (0.43) DYRK1AGSK3BWNT1KITCSF1R
SCHEMBL30690655 0.92 GSK3B (0.41) DYRK1AGSK3BWNT1KITCSF1R
SCHEMBL30690538 0.90 GSK3B (0.44) DYRK1AGSK3BWNT1KITCSF1R
SCHEMBL30690654 0.90 GSK3B (0.46) DYRK1AGSK3BWNT1KITCSF1R

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