SCHEMBL7210339

SCHEMBL7210339

Fc1ccc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.55
MAPK13 O15264 9/20 0.55
MAPK12 P53778 9/20 0.55
MAPK11 Q15759 9/20 0.55
CDK4 P11802 1/20 0.46
GSK3B P49841 1/20 0.46
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HIF1A Q16665 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL7211798 0.94 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL7210145 0.85 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7215151 0.84 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL7210540 0.80 TYRO3 (0.46) KDM4EALDH1A1TSHR
SCHEMBL7215173 0.80 QPCT (0.61) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL7210115 0.80 PTGS2 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7212196 0.79 MERTK (0.51) MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL7210261 0.79 PTGS2 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7216164 0.79 DYRK1B (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7210164 0.79 PTGS2 (0.49) MAPK14MAPK13MAPK12MAPK11GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed