SCHEMBL4636249

SCHEMBL4636249

CCOC(=O)Oc1c(NC=O)nc(N2CCCC(NC(=O)OC(C)(C)C)C2)n1CC=C(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.42
BTK Q06187 3/20 0.42
DPP4 P27487 11/20 0.39
MAP4K4 O95819 2/20 0.38
LCK P06239 2/20 0.38
EGFR P00533 1/20 0.38
RET P07949 1/20 0.36
PDE10A Q9Y233 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL4635505 0.92 BTK (0.41) JAK3BTKDPP4MAP4K4LCK
SCHEMBL4635283 0.88 MAP4K4 (0.44) JAK3BTKDPP4MAP4K4LCK
SCHEMBL3977507 0.88 BTK (0.43) JAK3BTKDPP4MAP4K4LCK
SCHEMBL4635245 0.87 BTK (0.41) JAK3BTKDPP4MAP4K4LCK
SCHEMBL3971382 0.82 BTK (0.41) JAK3BTKDPP4MAP4K4LCK
SCHEMBL556256 0.81 BTK (0.41) JAK3BTKDPP4MAP4K4LCK
SCHEMBL5437210 0.79 MAP4K4 (0.46) JAK3BTKDPP4MAP4K4LCK
SCHEMBL556164 0.79 MAP4K4 (0.46) JAK3BTKDPP4MAP4K4LCK
SCHEMBL5435581 0.79 BTK (0.42) JAK3BTKDPP4MAP4K4LCK
SCHEMBL554830 0.79 BTK (0.40) JAK3BTKDPP4MAP4K4LCK

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
EP-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP disclosed