SCHEMBL11491985

SCHEMBL11491985

[S]c1ncnc2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
PTGS1 P23219 1/20 0.35
HBB P68871 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PI4KA P42356 2/20 0.33
PI4K2B Q8TCG2 2/20 0.33
PI4K2A Q9BTU6 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
LMNA P02545 1/20 0.33
DRD3 P35462 1/20 0.33
XDH P47989 1/20 0.33
LRRK2 Q5S007 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CSNK2A2 P19784 2/20 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
Adenine SCHEMBL3414603 0.74 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL3416954 0.74 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL10285464 0.74 PI4KA (0.34) KDM4EALDH1A1HPGDTDP1TP53
Adenine SCHEMBL8110 0.74 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL3413247 0.74 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL129804 0.73 PDPK1 (0.37) KDM4EALDH1A1HPGDTDP1TP53
Hypoxanthine SCHEMBL446722 0.73 LMNA (0.33) KDM4EALDH1A1HPGDTDP1TP53
Adenine SCHEMBL691914 0.73 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL13014 0.73 CSNK2A2 (0.40) KDM4EALDH1A1HPGDTDP1TP53
Adenine SCHEMBL2895675 0.73 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBLMNA

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
US-4234578-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1980-11-18 US disclosed