SCHEMBL21807006

SCHEMBL21807006

Brc1n[nH]c2ncnc(Nc3ccccc3)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.56
ABL1 P00519 7/20 0.56
PRKCA P17252 4/20 0.56
SRC P12931 3/20 0.56
ABL2 P42684 2/20 0.52
MAPK1 P28482 3/20 0.51
CDK1 P06493 3/20 0.49
TTBK1 Q5TCY1 1/20 0.49
TTBK2 Q6IQ55 1/20 0.49
MAP4K4 O95819 2/20 0.46
PIM1 P11309 2/20 0.46
MAP4K2 Q12851 2/20 0.46
DYRK1A Q13627 2/20 0.46
PIM3 Q86V86 2/20 0.46
AURKB Q96GD4 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
DYRK3 O43781 1/20 0.46
CLK2 P49760 1/20 0.46
IRAK1 P51617 1/20 0.46
CSNK2A1 P68400 1/20 0.46

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
SCHEMBL8117270 0.85 EGFR (0.60) EGFRABL1PRKCASRCABL2
SCHEMBL31236246 0.81 PDPK1 (0.56) EGFRPRKCACDK1TTBK1TTBK2
SCHEMBL31236247 0.81 PDPK1 (0.56) EGFRPRKCACDK1TTBK1TTBK2
SCHEMBL6235344 0.80 EGFR (0.55) EGFRABL1PRKCASRCABL2
SCHEMBL4930240 0.78 EGFR (0.52) EGFRABL1PRKCASRCABL2
SCHEMBL4006360 0.76 BRAF (0.60) EGFRABL1PRKCASRCABL2
SCHEMBL13020445 0.76 EGFR (0.50) EGFRABL1PRKCASRCABL2
SCHEMBL4923141 0.75 EGFR (0.52) EGFRABL1PRKCASRCABL2
SCHEMBL19507722 0.75 EGFR (0.49) EGFRABL1PRKCASRCABL2
SCHEMBL6686751 0.75 EGFR (0.52) EGFRABL1PRKCASRCABL2

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-3853230-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2021-07-28 EP disclosed
WO-2020061279-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2020-03-26 WO disclosed