SCHEMBL5223774

SCHEMBL5223774

COc1ccccc1CCOc1cccc2nc(N)nc(N)c12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 9/20 0.66
CSNK1A1 P48729 1/20 0.65
CSNK1D P48730 1/20 0.65
PRKCD Q05655 1/20 0.65
PAK1 Q13153 1/20 0.65
CAMK2B Q13554 1/20 0.65
CAMK2G Q13555 1/20 0.65
CAMK2D Q13557 1/20 0.65
TAOK1 Q7L7X3 1/20 0.65
DHFR P00374 13/20 0.59
CYP1A2 P05177 1/20 0.52
KCNH2 Q12809 1/20 0.51

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
SCHEMBL1154838 0.87 DHFR (0.73) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL5217311 0.85 DHFR (0.77) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL5215836 0.85 DHFR (0.59) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL5219052 0.85 DCPS (0.66) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL5217134 0.82 DHFR (0.59) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL1154216 0.82 DCPS (0.75) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL1154579 0.81 DCPS (0.68) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL2127791 0.81 DCPS (1.00) DCPSDHFRKCNH2
SCHEMBL30912754 0.81 DCPS (1.00) DCPSDHFRKCNH2
SCHEMBL5221323 0.81 DCPS (0.59) DCPSCSNK1A1CSNK1DPRKCDPAK1

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-1765810-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Decode Chemistry, Inc. (US) 2007-03-28 EP disclosed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO disclosed