SCHEMBL8968827

SCHEMBL8968827

CC(C)(C)c1ccc(C#N)cc1NC(=NC#N)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.44
CXCR1 P25024 1/20 0.44
ABCC9 O60706 6/20 0.40
KCNJ11 Q14654 6/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
HTT P42858 1/20 0.34
F2 P00734 1/20 0.34
PLG P00747 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
SCHEMBL8968824 1.00 CXCR2 (0.44) CXCR2CXCR1ABCC9KCNJ11ALDH1A1
SCHEMBL8968203 0.87 ABCC9 (0.45) ABCC9KCNJ11MAPTKMT2AMEN1
SCHEMBL8968199 0.87 ABCC9 (0.45) ABCC9KCNJ11MAPTKMT2AMEN1
SCHEMBL8968160 0.82 CXCR2 (0.65) CXCR2CXCR1ALDH1A1MAPTKDM4E
SCHEMBL6817474 0.80 CXCR2 (0.65) CXCR2CXCR1ABCC9KCNJ11ALDH1A1
SCHEMBL6817602 0.80 CXCR2 (0.65) CXCR2CXCR1ABCC9KCNJ11ALDH1A1
SCHEMBL9235204 0.79 KMT2A (0.36) CXCR2CXCR1ALDH1A1MAPTKDM4E
SCHEMBL8968209 0.79 KMT2A (0.36) CXCR2CXCR1ALDH1A1MAPTKDM4E
SCHEMBL8968832 0.77 ABCC9 (0.42) CXCR2CXCR1ABCC9KCNJ11GAA
SCHEMBL6818383 0.74 CXCR2 (0.40) CXCR2CXCR1ALDH1A1MAPTKDM4E

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
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP claimed
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US disclosed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP disclosed