SCHEMBL7942534

SCHEMBL7942534

CC(=O)c1c(-c2ccc(F)cc2)ncn1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.50
HCAR1 Q9BXC0 1/20 0.48
TGFBR1 P36897 1/20 0.48
MMP13 P45452 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR119 Q8TDV5 9/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
GRIA1 P42261 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL12727176 0.94 TGFBR1 (0.51) MAPK14HCAR1TGFBR1MMP13MEN1
SCHEMBL1640318 0.89 TGFBR1 (0.58) MAPK14TGFBR1MMP13GPR119GRIA1
SCHEMBL1640811 0.89 GPR119 (0.53) HCAR1GPR119
SCHEMBL6953086 0.88 MAPK14 (0.64) MAPK14MEN1KMT2A
SCHEMBL15824383 0.88 MAPK14 (0.50) MAPK14HCAR1TGFBR1MMP13MEN1
SCHEMBL15830851 0.88 MAPK14 (0.50) MAPK14HCAR1TGFBR1MMP13MEN1
SCHEMBL4913562 0.84 MAPK14 (0.65) MAPK14HCAR1TGFBR1GPR119GRIA1
SCHEMBL1640844 0.82 MAPK14 (0.44) MAPK14TGFBR1
SCHEMBL1640964 0.81 MAPK14 (0.59) MAPK14TGFBR1GPR119
SCHEMBL17083890 0.81 GPR119 (0.53) HCAR1MEN1KMT2AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255491-B1 CHEMICAL INTERMEDIATES SUCH AS 1-(SUBSTITUTED), 4-ARYL, 5-(3-N,N-DISUBSTITUTED AMINO-1-PROPENONE) IMIDAZOLE, USEFUL FOR MAKING 5-PYRIMIDINYL IMIDAZOLES SMITHKLINE BEECHAM CORPORATION 2001-07-03 US disclosed
US-6239279-B1 THERAPY FOR CYTOKINE SENSITIVE DISEASES SMITHKLINE BEECHAM CORPORATION 2001-05-29 US disclosed
US-6100399-A Synthesis for 4-aryl-5-pyrimidine imidazole substituted compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-08-08 US disclosed
US-5917043-A INTERMEDIATES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed