SCHEMBL8819684

SCHEMBL8819684

COc1cccc(-n2cc(C3=CC=CCC3)c3ncnc(N)c32)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
SRC P12931 13/20 0.44
ABL1 P00519 6/20 0.44
EGFR P00533 6/20 0.44
ABL2 P42684 6/20 0.44
CDK1 P06493 2/20 0.44
EPHB4 P54760 2/20 0.41
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
KDR P35968 1/20 0.37
MAP4K4 O95819 1/20 0.35
DHFR P00374 1/20 0.35
LIMK1 P53667 1/20 0.35

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
SCHEMBL8820875 0.86 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819667 0.86 SRC (0.35) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819716 0.84 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819676 0.83 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819623 0.79 SRC (0.61) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819719 0.76 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819980 0.74 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8820549 0.74 SRC (0.53) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8820717 0.73 PI4KB (0.55) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8820820 0.73 SRC (0.48) PI4KAPI4K2BPI4K2API4KBSRC

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-1997049706-A1 SUBSTITUTED 7-AMINO-PYRROLO[3,2-d]PYRIMIDINES AND THE USE THEREOF NOVARTIS AG (CH) 1997-12-31 WO claimed