SCHEMBL22259299

SCHEMBL22259299

CCOc1c(Br)cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ SSTR4 P31391 1/20 0.34
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ CPB2 Q96IY4 3/20 0.31

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
SCHEMBL29498374 1.00 THRB (0.36) THRBSYKSSTR4NFKB1NFKB2
SCHEMBL22235217 0.94 THRB (0.36) THRBSYKSSTR4NFKB1NFKB2
SCHEMBL18786676 0.75 PDPK1 (0.39) THRBSYKNFKB1NFKB2RELA
SCHEMBL18085719 0.75 SSTR4 (0.36) SSTR4PDPK1
SCHEMBL24389026 0.75 SSTR4 (0.44) SYKSSTR4PDPK1
SCHEMBL1181827 0.74 SSTR4 (0.36) SSTR4PDPK1
SCHEMBL6059213 0.74 CYP2C19 (0.41) SYKNFKB1NFKB2RELA
SCHEMBL22235219 0.72 AAK1 (0.35) THRBSYK
SCHEMBL22958315 0.72 PDPK1 (0.34) SYKSSTR4PDPK1
SCHEMBL29726252 0.72 PDPK1 (0.34) SYKSSTR4PDPK1

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-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 — — WO disclosed
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