SCHEMBL30690657

SCHEMBL30690657

Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnc2[nH]c(-c3cn(C)nc3C)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
KIT P10721 12/20 0.36
CSF1R P07333 1/20 0.35
S1PR2 O95136 3/20 0.32
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL30690532 0.88 GSK3B (0.47) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690579 0.88 WNT1 (0.37) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690718 0.84 MLLT1 (0.40) WNT1GSK3BDYRK1AKIT
SCHEMBL30690525 0.83 GSK3B (0.42) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690722 0.82 MAPT (0.40) WNT1GSK3BDYRK1AKIT
SCHEMBL30690514 0.80 GSK3B (0.46) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690592 0.80 KIT (0.41) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690738 0.79 GSK3B (0.49) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690447 0.79 DYRK1A (0.46) WNT1GSK3BDYRK1AKITCSF1R
SCHEMBL30690587 0.78 GSK3B (0.46) WNT1GSK3BDYRK1AKITCSF1R

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