SCHEMBL30451773

SCHEMBL30451773

CC(C)(OCc1ccccc1OOP(=O)(O)Cl)n1cnc2c(N)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 5/20 0.42
PI4K2B Q8TCG2 5/20 0.42
PI4K2A Q9BTU6 5/20 0.42
PI4KB Q9UBF8 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ADORA1 P30542 3/20 0.37
CYP3A4 P08684 1/20 0.37
FGFR1 P11362 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
ADORA2A P29274 1/20 0.36
EGFR P00533 2/20 0.36
PIK3CD O00329 1/20 0.35
DNPH1 O43598 1/20 0.34
PRKAB2 O43741 1/20 0.34
TRPM2 O94759 1/20 0.34
LDHA P00338 1/20 0.34
ADRB2 P07550 1/20 0.34
FBP1 P09467 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
SCHEMBL21518151 0.81 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL28484184 0.81 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL2449991 0.75 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL30451824 0.74 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL29641197 0.73 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL21518153 0.73 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL21518150 0.73 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL28484182 0.72 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL15669233 0.67 CYP3A4 (0.51) CYP3A4SLC22A6
SCHEMBL15669173 0.67 CYP3A4 (0.51) CYP3A4SLC22A6

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
CN-111989335-B Phosphonamide ester compounds and salts thereof and related crystalline forms, methods of preparation and uses 四川科伦博泰生物医药股份有限公司 2023-06-13 CN disclosed