SCHEMBL6030468

SCHEMBL6030468

COc1ccc(-c2cnc(SCC(=O)NC(CCC3CCCCC3)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PI4KB Q9UBF8 2/20 0.40
MAPT P10636 4/20 0.39
AAK1 Q2M2I8 2/20 0.39
STK17B O94768 1/20 0.39
ROCK2 O75116 1/20 0.38
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6030480 0.99 LMNA (0.44) LMNARAB9APOLBATMTSHR
SCHEMBL6169178 0.92 LMNA (0.45) LMNARAB9APOLBATMTSHR
SCHEMBL6169643 0.91 LMNA (0.46) LMNARAB9APOLBATMTSHR
SCHEMBL6029268 0.85 MAPT (0.43) LMNARAB9APOLBATMTSHR
SCHEMBL6029156 0.83 LMNA (0.41) LMNARAB9APOLBATMTSHR
SCHEMBL6028227 0.83 LMNA (0.41) LMNARAB9APOLBATMTSHR
SCHEMBL6030459 0.83 LMNA (0.41) LMNARAB9APOLBATMTSHR
SCHEMBL6029808 0.83 LMNA (0.41) LMNARAB9APOLBATMTSHR
SCHEMBL6028822 0.82 LMNA (0.40) LMNARAB9APOLBATMTSHR
SCHEMBL6028834 0.82 LMNA (0.42) LMNARAB9APOLBATMTSHR

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
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP claimed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO claimed
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO disclosed