SCHEMBL30690685

SCHEMBL30690685

Cc1ncc(C(=O)NCCC2CCCCC2)cc1NC(=O)c1cnc2c(c1)cc(-c1cnn(C)c1)n2COCC[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 3/20 0.42
CHRM1 P11229 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LDLR P01130 1/20 0.38
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
KIT P10721 3/20 0.34
CSF1R P07333 2/20 0.34
MAPK14 Q16539 4/20 0.34
MAPK11 Q15759 2/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
SRC P12931 1/20 0.33
PDGFRB P09619 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 3/20 0.32
DYRK1A Q13627 3/20 0.32
WNT1 P04628 2/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL30690658 0.87 CSF1R (0.40) PDGFRACHRM1HRH3HDAC3HDAC1
SCHEMBL30690679 0.87 PDGFRA (0.40) PDGFRACHRM1HRH3HDAC3HDAC1
SCHEMBL30690812 0.85 PDGFRA (0.60) PDGFRACHRM1HRH3HDAC3HDAC1
SCHEMBL30690683 0.85 PDGFRA (0.39) PDGFRACHRM1HRH3HDAC3HDAC1
SCHEMBL30690781 0.85 PDGFRA (0.39) PDGFRACHRM1HRH3HDAC3HDAC1
Hydrochloric Acid SCHEMBL30690806 0.84 PDGFRA (0.38) PDGFRACHRM1HRH3HDAC3HDAC1
SCHEMBL30690760 0.83 CSF1R (0.40) PDGFRACHRM1HRH3HDAC3HDAC1
SCHEMBL30690642 0.82 CSF1R (0.41) PDGFRACHRM1HRH3HDAC3HDAC1
SCHEMBL30690802 0.82 ABL1 (0.40) PDGFRACHRM1HRH3HDAC3HDAC1
SCHEMBL30690774 0.82 GSK3B (0.41) PDGFRACHRM1HRH3KITCSF1R

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 disclosed