SCHEMBL6956604

SCHEMBL6956604

CCC(=O)Oc1ccc2c(c1)CCN(c1nc(Nc3ccc(F)cc3)nc(C)c1C)C2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
PPARA Q07869 6/20 0.34
PPARG P37231 5/20 0.34
MEN1 O00255 3/20 0.34
EGFR P00533 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6963615 0.94 KMT2A (0.35) KMT2AMAPTTP53MEN1EGFR
SCHEMBL6962244 0.92 KMT2A (0.35) KMT2AMAPTTP53PPARAPPARG
SCHEMBL6957796 0.92 MAPT (0.35) KMT2AMAPTTP53PPARAPPARG
SCHEMBL6965486 0.91 KMT2A (0.37) KMT2AMAPTTP53PPARAPPARG
SCHEMBL6958624 0.90 KMT2A (0.35) KMT2AMAPTTP53PPARAPPARG
Hydrochloric Acid SCHEMBL6967327 0.89 SMN1; SMN2 (0.34) KMT2AMAPTTP53EGFRNPSR1
SCHEMBL6962260 0.89 SLC2A1 (0.40) KMT2AMAPTTP53EGFRNPSR1
SCHEMBL6962957 0.89 KMT2A (0.35) KMT2AMAPTTP53PPARAPPARG
SCHEMBL6957959 0.88 SMN1; SMN2 (0.38) KMT2AMAPTTP53PPARAPPARG
SCHEMBL6962548 0.88 GHSR (0.34) KMT2AMAPTEGFRRORC

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 2 patents. 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
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed