SCHEMBL8820875

SCHEMBL8820875

Nc1ncnc2c(C3=CC=CCC3)cn(-c3cccc(F)c3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.46
PI4K2B Q8TCG2 2/20 0.46
PI4K2A Q9BTU6 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
RIPK2 O43353 1/20 0.34
MAP4K4 O95819 6/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SRC P12931 4/20 0.31
ABL1 P00519 3/20 0.31
EGFR P00533 3/20 0.31
ABL2 P42684 3/20 0.31
CDK1 P06493 2/20 0.31
MEN1 O00255 1/20 0.31
UBE2N P61088 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
RPS6KB1 P23443 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL8819667 0.88 SRC (0.35) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819684 0.86 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL8819502 0.83 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBRIPK2
SCHEMBL8820521 0.82 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBRIPK2
SCHEMBL8820527 0.78 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL8819507 0.75 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBRIPK2
SCHEMBL8820819 0.71 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBRIPK2
SCHEMBL8819680 0.71 SRC (0.36) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819661 0.70 SRC (0.38) PI4KAPI4K2BPI4K2API4KBSRC
SCHEMBL8819716 0.69 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBMAP4K4

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