SCHEMBL30690835

SCHEMBL30690835

CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2cnc3c(c2)cc(I)n3COCC[Si](C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.36
RORC P51449 11/20 0.35
HDAC6 Q9UBN7 2/20 0.34
F10 P00742 1/20 0.34
EGFR P00533 1/20 0.34
ITK Q08881 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC10 Q969S8 1/20 0.34
SYK P43405 1/20 0.34
P2RX3 P56373 1/20 0.33
NAMPT P43490 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL30690789 0.92 BRAF (0.38) HDAC1RORCHDAC6EGFRHDAC3
SCHEMBL30690816 0.81 FGFR3 (0.36) HDAC1RORCHDAC3NAMPT
SCHEMBL30690811 0.77 DYRK1A (0.38) HDAC1RORCHDAC3CD274
SCHEMBL30690642 0.74 CSF1R (0.41) HDAC1RORCEGFRHDAC3CD274
SCHEMBL30690639 0.74 GSK3B (0.38) HDAC1RORCHDAC3
SCHEMBL30690630 0.74 NPC1 (0.39)
SCHEMBL30690647 0.72 DYRK1A (0.41) RORCNAMPTCD274
SCHEMBL29448768 0.69 KCNQ3 (0.47) HDAC1HDAC6NAMPT
SCHEMBL29448781 0.69 NPC1 (0.46) RORCNAMPT
SCHEMBL20577987 0.68 BRAF (0.47) RORCNAMPT

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