SCHEMBL6963612

SCHEMBL6963612

CCCCC(=O)Oc1ccc2c(c1)C(C)N(c1nc(Nc3ccc(F)cc3)nc(C)c1C)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
MTNR1B P49286 2/20 0.34
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MARK3 P27448 1/20 0.32
KCNH3 Q9ULD8 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
MAPK1 P28482 1/20 0.32
KDR P35968 1/20 0.32
EPHB3 P54753 1/20 0.32

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
SCHEMBL6962244 0.94 KMT2A (0.35) KMT2ATP53MAPTKCNH3EGFR
SCHEMBL6955926 0.92 P2RX3 (0.34) KMT2ATP53MAPTMARK3EGFR
SCHEMBL6963615 0.92 KMT2A (0.35) KMT2ATP53MAPTMARK3EGFR
SCHEMBL6966508 0.88 KMT2A (0.37) KMT2ATP53MAPTMARK3KCNH3
SCHEMBL6962677 0.87 SLC2A1 (0.40) KMT2AMAPTKCNH3EGFRFYN
SCHEMBL6957796 0.86 MAPT (0.35) KMT2ATP53MAPTEGFRFYN
SCHEMBL6957217 0.86 KMT2A (0.35) KMT2ATP53MAPTMARK3KCNH3
SCHEMBL6960905 0.86 KMT2A (0.35) KMT2AMARK3EGFRFYNPDGFRB
SCHEMBL6956604 0.86 KMT2A (0.35) KMT2ATP53MAPTMARK3EGFR
SCHEMBL6961325 0.85 IGF1R (0.34) KMT2AMAPTMARK3EGFRFYN

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