SCHEMBL13845160

SCHEMBL13845160

Nc1cnc(NC[C@@H]2CCNC2)nc1NC1CCc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
PRKCQ Q04759 4/20 0.41
ROCK1 Q13464 1/20 0.38
FLT3 P36888 3/20 0.37
TYRO3 Q06418 3/20 0.37
MERTK Q12866 3/20 0.37
GAS6 Q14393 3/20 0.37
AXL P30530 2/20 0.37
CHEK1 O14757 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
GBA1 P04062 3/20 0.36
TRIM58 Q8NG06 1/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
IGF1R P08069 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
IRAK1 P51617 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
SCHEMBL13845192 0.88 PRKCQ (0.44) KDM1APRKCQCHEK1BRD4ATAD2
SCHEMBL13845154 0.86 PRKCQ (0.46) PRKCQROCK1FLT3TYRO3MERTK
SCHEMBL13845174 0.77 PRKCQ (0.48) KDM1APRKCQFLT3TYRO3MERTK
SCHEMBL13845141 0.76 GBA1 (0.34) PRKCQGBA1
SCHEMBL13845177 0.71 PRKCQ (0.51) KDM1APRKCQFLT3TYRO3MERTK
SCHEMBL13845148 0.71 HRH3 (0.38) MERTKBRD4
SCHEMBL13608426 0.70 JAK2 (0.42) KDM1APRKCQCYP3A4CYP2C9BRD4
SCHEMBL13608448 0.70 JAK2 (0.42) KDM1APRKCQCYP3A4CYP2C9BRD4
SCHEMBL13845246 0.70 TYRO3 (0.42) PRKCQFLT3TYRO3MERTKGAS6
SCHEMBL14391028 0.67 TYRO3 (0.54) PRKCQFLT3TYRO3MERTKGAS6

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
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO disclosed