SCHEMBL676557

SCHEMBL676557

NC(=O)c1ccc(C2(C(=O)O)CC2)c(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.68
LCK P06239 1/20 0.54
IGF1R P08069 1/20 0.54
EIF2AK2 P19525 1/20 0.54
SYK P43405 1/20 0.54
BMX P51813 1/20 0.54
MAPK8 P45983 1/20 0.54

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
SCHEMBL242231 0.86 EGFR (0.52) AURKASYK
SCHEMBL4237476 0.81 AURKA (1.00) AURKALCKIGF1REIF2AK2SYK
SCHEMBL3694508 0.81 AURKA (1.00) AURKALCKIGF1REIF2AK2SYK
SCHEMBL13777946 0.71 AURKA (1.00) AURKALCKIGF1REIF2AK2SYK
Anilinopyrimidine1 SCHEMBL676556 0.71 AURKA (1.00) AURKALCKIGF1REIF2AK2SYK
SCHEMBL4237478 0.70 AURKA (0.85) AURKALCKIGF1REIF2AK2SYK
SCHEMBL3694510 0.70 AURKA (0.85) AURKALCKIGF1REIF2AK2SYK
SCHEMBL27981675 0.70 AURKA (0.69) AURKALCKIGF1REIF2AK2SYK
SCHEMBL20097955 0.69 AURKA (0.77) AURKALCKIGF1REIF2AK2SYK
SCHEMBL4239038 0.68 AURKA (0.70) AURKASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216782-B2 PTTG1 as a biomarker for cancer treatment CEDARS-SINAI MEDICAL CENTER (US) 2012-07-10 US disclosed
US-20110281935-A1 Combination Therapy Based on SRC and Aurora Kinase Inhibition for the Treatment of Cancer THE INSTITUTE FOR CANCER RESEARCH 2011-11-17 US disclosed
US-20110009473-A1 PTTG1 AS A BIOMARKER FOR CANCER TREATMENT CEDARS-SINAI MEDICAL CENTER (US) 2011-01-13 US disclosed
EP-2250290-A2 PTTG1 AS A BIOMARKER FOR CANCER TREATMENT Cedars-Sinai Medical Center (US) 2010-11-17 EP disclosed
WO-2009114817-A2 PTTG1 AS A BIOMARKER FOR CANCER TREATMENT CEDARS-SINAI MEDICAL CENTER (US) 2009-09-17 WO disclosed