SCHEMBL30690782

SCHEMBL30690782

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.32
BTK Q06187 2/20 0.31
MTOR P42345 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
RAF1 P04049 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 0.89 PIK3CA (0.32) ABL1MTORHDAC3HDAC1HDAC2
SCHEMBL30690780 0.87 HDAC3 (0.34) ABL1BTKHDAC3HDAC1HDAC2
SCHEMBL30690642 0.84 CSF1R (0.41) ABL1HDAC3HDAC1HDAC2CD274
SCHEMBL30690765 0.84 HRH3 (0.34) HDAC3HDAC1HDAC2
SCHEMBL30690792 0.79 PIK3CD (0.34) MTORPIK3CDPIK3CA
SCHEMBL30690811 0.77 DYRK1A (0.38) ABL1HDAC3HDAC1HDAC2CD274
SCHEMBL30690639 0.76 GSK3B (0.38) ABL1BTKHDAC3HDAC1HDAC2
SCHEMBL30690789 0.75 BRAF (0.38) HDAC3HDAC1
SCHEMBL30690647 0.74 DYRK1A (0.41) CD274
SCHEMBL30690835 0.73 HDAC1 (0.36) HDAC3HDAC1CD274

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