SCHEMBL13618988

SCHEMBL13618988

COc1cc2nc(Sc3ccc(C)nc3)nc(-c3ccc(C(C)C)cc3)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
WHR1 P49842 2/20 0.40
PDE4A P27815 4/20 0.39
PDE4D Q08499 4/20 0.39
EGFR P00533 2/20 0.37
ERBB2 P04626 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
FGFR2 P21802 1/20 0.36
CASR P41180 1/20 0.36
KRAS P01116 2/20 0.35
SOS1 Q07889 2/20 0.35
PRKDC P78527 1/20 0.35
DHFR P00374 1/20 0.34
GRM2 Q14416 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
KIT P10721 1/20 0.34

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
SCHEMBL3472453 0.79 WHR1 (0.47) WHR1PDE4APDE4DEGFRERBB2
SCHEMBL3469786 0.78 FGFR2 (0.43) PDE10AWHR1PDE4APDE4DEGFR
SCHEMBL3472098 0.76 PDE4A (0.62) WHR1PDE4APDE4DEGFRERBB2
SCHEMBL3469902 0.74 WHR1 (0.51) WHR1PDE4APDE4DEGFRLMNA
SCHEMBL3471427 0.74 WHR1 (0.51) WHR1PDE4APDE4DEGFRERBB2
SCHEMBL3470966 0.73 WHR1 (0.50) WHR1PDE4APDE4DEGFRERBB2
SCHEMBL3470056 0.71 ERBB2 (0.48) WHR1PDE4APDE4DEGFRERBB2
SCHEMBL3471534 0.71 PDE4A (0.52) PDE10AWHR1PDE4APDE4DEGFR
SCHEMBL3470960 0.70 WHR1 (0.45) PDE10AWHR1PDE4APDE4DEGFR
SCHEMBL3470198 0.70 KRAS (0.47) PDE10AWHR1PDE4APDE4DEGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed