SCHEMBL7063167

SCHEMBL7063167

N#C/N=C(\Nc1ccc(C#N)cc1O)Nc1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.46
CXCR1 P25024 2/20 0.46
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CX3CR1 P49238 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IMPDH2 P12268 1/20 0.36
MAPK1 P28482 1/20 0.35
P2RX1 P51575 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34

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
SCHEMBL7063170 1.00 CXCR2 (0.46) CXCR2CXCR1MEN1KMT2ACX3CR1
SCHEMBL5595003 0.83 CXCR2 (0.66) CXCR2CXCR1MEN1KMT2ACX3CR1
SCHEMBL6817696 0.81 CXCR2 (0.70) CXCR2CXCR1MEN1KMT2A
SCHEMBL6817693 0.81 CXCR2 (0.70) CXCR2CXCR1MEN1KMT2A
SCHEMBL6817474 0.81 CXCR2 (0.65) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL6817602 0.81 CXCR2 (0.65) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL7063173 0.77 CXCR2 (0.46) CXCR2CXCR1TAS1R3TAS1R1TAS1R2
SCHEMBL7489083 0.76 CXCR2 (0.69) CXCR2CXCR1MEN1KMT2ACX3CR1
SCHEMBL6136721 0.74 CXCR2 (0.46) CXCR2CXCR1MEN1KMT2ATAS1R3
SCHEMBL6129952 0.74 CXCR2 (0.45) CXCR2CXCR1MEN1KMT2ACX3CR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US claimed
EP-1191934-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-0929302-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-31 EP disclosed
EP-1191934-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-04-03 EP disclosed
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US disclosed
WO-2000076516-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0929302-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-21 EP disclosed
WO-1998006397-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-19 WO disclosed