SCHEMBL6969913

SCHEMBL6969913

C/C=C/COc1ccc2c(c1)C(C)N(c1nc(Nc3ccc(F)cc3)nc(C)c1C)CC2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EGFR P00533 3/20 0.32
FGFR1 P11362 2/20 0.32
FGFR2 P21802 2/20 0.32
FGFR4 P22455 2/20 0.32
FGFR3 P22607 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
FYN P06241 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 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
LCK P06239 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
SCHEMBL6958019 0.94 FKBP1A (0.33) MAPTNPSR1EGFRFGFR1FGFR2
Hydrochloric Acid SCHEMBL6955803 0.86 CYP1A2 (0.39) MAPTNPSR1EGFRFGFR1FGFR2
SCHEMBL6969924 0.85 KMT2A (0.35) MAPTNPSR1EGFRFGFR1FGFR2
SCHEMBL6969919 0.85 KMT2A (0.35) MAPTNPSR1EGFRFGFR1FGFR2
SCHEMBL6159299 0.84 KMT2A (0.40) MAPTKMT2AMEN1BLMMAPK1
Hydrochloric Acid SCHEMBL6159666 0.83 KMT2A (0.39) MAPTKMT2AMEN1BLMMAPK1
SCHEMBL6966508 0.83 KMT2A (0.37) MAPTNPSR1EGFRFGFR1FGFR2
SCHEMBL6963615 0.82 KMT2A (0.35) MAPTNPSR1EGFRFGFR1FGFR2
SCHEMBL6955926 0.81 P2RX3 (0.34) MAPTNPSR1EGFRFGFR1FGFR2
SCHEMBL6963612 0.81 KMT2A (0.35) MAPTNPSR1EGFRFGFR1FGFR2

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