SCHEMBL6964822

SCHEMBL6964822

CCOC(=O)CCCOc1ccc2c(c1)CCN(c1nc(Nc3ccc(F)cc3)nc(C)c1C)C2C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
PPARA Q07869 10/20 0.38
PPARG P37231 8/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
P2RY12 Q9H244 1/20 0.36
PPARD Q03181 1/20 0.35
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7137764 0.94 BRD4 (0.40) BRD4PPARAPPARGPDE3BPDE3A
SCHEMBL6957796 0.91 MAPT (0.35) PPARAPPARGTP53MAPTKMT2A
SCHEMBL6962244 0.88 KMT2A (0.35) PPARAPPARGTP53MAPTKMT2A
SCHEMBL6956604 0.86 KMT2A (0.35) PPARAPPARGTP53MAPTKMT2A
SCHEMBL6958365 0.85 MAPT (0.38) PPARAPPARGTP53MAPTKMT2A
SCHEMBL6955926 0.85 P2RX3 (0.34) TP53MAPTKMT2A
SCHEMBL6965486 0.84 KMT2A (0.37) BRD4PPARAPPARGTP53MAPT
SCHEMBL6962957 0.83 KMT2A (0.35) BRD4PPARAPPARGTP53MAPT
SCHEMBL6958019 0.83 FKBP1A (0.33) PPARAPPARGTP53MAPTKMT2A
SCHEMBL6963612 0.82 KMT2A (0.35) TP53MAPTKMT2A

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 claimed