SCHEMBL28484184

SCHEMBL28484184

CC(C)(OCc1cccc2c1O2)n1cnc2c(N)ncnc21.O=P(O)(O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.42
PI4K2B Q8TCG2 4/20 0.42
PI4K2A Q9BTU6 4/20 0.42
PI4KB Q9UBF8 4/20 0.42
ADORA1 P30542 4/20 0.37
CYP3A4 P08684 1/20 0.37
FGFR1 P11362 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
FBP1 P09467 2/20 0.36
P2RY1 P47900 2/20 0.36
GSK3B P49841 1/20 0.36
DNPH1 O43598 1/20 0.36
PRKAB2 O43741 1/20 0.36
TRPM2 O94759 1/20 0.36
LDHA P00338 1/20 0.36
ADRB2 P07550 1/20 0.36
SRC P12931 1/20 0.36
P2RY2 P41231 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36

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
SCHEMBL30451773 0.81 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL2449991 0.75 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL21518151 0.74 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL21518153 0.72 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL21518150 0.72 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL29641197 0.72 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL28484182 0.70 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL30451824 0.69 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL21590119 0.66 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL28343435 0.65 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADORA1

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-A Phosphonamide ester compounds and salts and related crystal forms, preparation methods and uses thereof 四川科伦博泰生物医药股份有限公司 2020-11-24 CN claimed