SCHEMBL6967714

SCHEMBL6967714

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)C(Cc4ccccc4)NC(=O)OC(C)(C)C)cc3C2C)c1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.41
SCN9A Q15858 8/20 0.38
P2RX7 Q99572 1/20 0.37
EPHX2 P34913 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NPR3 P17342 2/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
REN P00797 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6967718 1.00 PABPC1 (0.41) PABPC1SCN9AP2RX7EPHX2HDAC8
SCHEMBL6965676 0.95 PABPC1 (0.41) PABPC1SCN9AP2RX7EPHX2HDAC8
SCHEMBL6965678 0.95 PABPC1 (0.41) PABPC1SCN9AP2RX7EPHX2HDAC8
SCHEMBL6957710 0.93 KLK7 (0.40) PABPC1SCN9AP2RX7CTSS
SCHEMBL6957715 0.93 KLK7 (0.40) PABPC1SCN9AP2RX7CTSS
SCHEMBL6966152 0.91 KLK7 (0.34) PABPC1SCN9AP2RX7HDAC8NPR3
SCHEMBL6956720 0.91 SCN9A (0.33) PABPC1SCN9A
SCHEMBL6957720 0.91 SCN9A (0.35) PABPC1SCN9A
SCHEMBL6961693 0.90 SCN9A (0.38) PABPC1SCN9ANPR3
SCHEMBL6961689 0.90 SCN9A (0.38) PABPC1SCN9ANPR3

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