SCHEMBL6967338

SCHEMBL6967338

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)C(NC(=O)OC(C)(C)C)C(C)C)ccc3C2C)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GHSR Q92847 6/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
RORC P51449 2/20 0.32
EGFR P00533 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 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
SCHEMBL6967347 1.00 MAPT (0.35) MAPTGAAALDH1A1GHSRKMT2A
SCHEMBL6962849 0.95 MAPT (0.35) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL6962845 0.95 MAPT (0.35) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL6963186 0.88 SCN9A (0.39) MAPTGAAALDH1A1GHSRRORC
SCHEMBL6963190 0.88 SCN9A (0.39) MAPTGAAALDH1A1GHSRRORC
SCHEMBL6962957 0.87 KMT2A (0.35) MAPTKMT2AMEN1RORCEGFR
SCHEMBL6967090 0.87 SCN9A (0.34) MAPTGAAALDH1A1GHSRRORC
SCHEMBL6964322 0.87 ALDH1A1 (0.40) MAPTGAAALDH1A1GHSRKMT2A
SCHEMBL6965678 0.87 PABPC1 (0.41) HDAC8NPR3
SCHEMBL6965676 0.87 PABPC1 (0.41) HDAC8NPR3

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