SCHEMBL6966152

SCHEMBL6966152

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)[C@H](Cc4cn(Cc5ccccc5)cn4)NC(=O)OC(C)(C)C)cc3C2C)c1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.34
TRHDE Q9UKU6 1/20 0.34
PABPC1 P11940 1/20 0.34
HDAC8 Q9BY41 1/20 0.32
SCN9A Q15858 4/20 0.32
TRHR P34981 1/20 0.31
P2RX7 Q99572 1/20 0.31
ACE P12821 1/20 0.31
PTPN1 P18031 1/20 0.31
NPR3 P17342 1/20 0.30

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
SCHEMBL6958594 0.96 KLK7 (0.35) KLK7TRHDEPABPC1HDAC8SCN9A
SCHEMBL6967714 0.91 PABPC1 (0.41) PABPC1HDAC8SCN9AP2RX7NPR3
SCHEMBL6967718 0.91 PABPC1 (0.41) PABPC1HDAC8SCN9AP2RX7NPR3
SCHEMBL6957710 0.87 KLK7 (0.40) KLK7PABPC1SCN9AP2RX7PTPN1
SCHEMBL6957715 0.87 KLK7 (0.40) KLK7PABPC1SCN9AP2RX7PTPN1
SCHEMBL6965678 0.86 PABPC1 (0.41) PABPC1HDAC8SCN9AP2RX7NPR3
SCHEMBL6965676 0.86 PABPC1 (0.41) PABPC1HDAC8SCN9AP2RX7NPR3
SCHEMBL6962443 0.86 KLK7 (0.35) KLK7TRHDEPABPC1SCN9ATRHR
SCHEMBL6956720 0.85 SCN9A (0.33) PABPC1SCN9A
SCHEMBL6957720 0.85 SCN9A (0.35) PABPC1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed