SCHEMBL30690780

SCHEMBL30690780

Cc1ncc(N)cc1NC(=O)c1cnc2c(c1)cc(C1=CCOCC1)n2COCC[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC1 Q13547 3/20 0.34
BTK Q06187 4/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
ABL1 P00519 1/20 0.31
MAPK1 P28482 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
PIM1 P11309 1/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL30690687 0.88 PIK3CA (0.32) HDAC3HDAC2HDAC1PIK3CDPIK3CA
SCHEMBL30690782 0.87 ABL1 (0.32) HDAC3HDAC2HDAC1BTKPIK3CD
SCHEMBL30690781 0.83 PDGFRA (0.39) HDAC3HDAC2HDAC1ABL1
SCHEMBL30690765 0.82 HRH3 (0.34) HDAC3HDAC2HDAC1
SCHEMBL30690792 0.82 PIK3CD (0.34) PIK3CDPIK3CAMAPK1
Hydrochloric Acid SCHEMBL30690806 0.82 PDGFRA (0.38) HDAC3HDAC2HDAC1ABL1
SCHEMBL30690679 0.74 PDGFRA (0.40) HDAC3HDAC2HDAC1ABL1PIM1
SCHEMBL30690669 0.73 IRAK4 (0.31) IRAK4
SCHEMBL30690683 0.73 PDGFRA (0.39) HDAC3HDAC2HDAC1ABL1
SCHEMBL30690760 0.71 CSF1R (0.40) HDAC3HDAC2HDAC1ABL1

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