SCHEMBL458705

SCHEMBL458705

CC(C)[Si](OCc1cc(F)ccc1B(O)O)(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.35
CXCR1 P25024 1/20 0.35
ANO1 Q5XXA6 1/20 0.31
F2RL1 P55085 3/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
IDO1 P14902 1/20 0.30
AGXT P21549 1/20 0.30
TACR1 P25103 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
SCHEMBL6816069 0.82 ENPP2 (0.35) ANO1SLC6A2SLC6A4IDO1
SCHEMBL2279322 0.81 HTR2A (0.38) CXCR2CXCR1IDO1
SCHEMBL457099 0.78 DPP4 (0.32) ANO1SLC6A4IDO1AGXT
SCHEMBL16041037 0.78 IDO1 (0.53) SLC6A2SLC6A4SLC6A3IDO1AGXT
SCHEMBL18037330 0.77 ENPP2 (0.38) CXCR2CXCR1IDO1AGXT
SCHEMBL10213877 0.75 LMNA (0.35) CXCR2CXCR1F2RL1
SCHEMBL13197054 0.74 GABRA1 (0.38) CXCR2CXCR1F2RL1
SCHEMBL19150350 0.73 CXCR1 (0.38) CXCR2CXCR1F2RL1SLC6A2SLC6A4
SCHEMBL31071985 0.73 CXCR2 (0.34) CXCR2CXCR1IDO1AGXT
SCHEMBL21767560 0.73 CXCR2 (0.34) CXCR2CXCR1IDO1AGXT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed