SCHEMBL30451824

SCHEMBL30451824

CC(C)(OCOP(=O)(Cl)OOc1ccccc1)n1cnc2c(N)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 8/20 0.43
PI4K2B Q8TCG2 8/20 0.43
PI4K2A Q9BTU6 8/20 0.43
PI4KB Q9UBF8 8/20 0.43
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGFR P00533 2/20 0.37
ABCB11 O95342 1/20 0.36
POLA1 P09884 1/20 0.36
POLG P54098 1/20 0.36
FAP Q12884 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
PIK3CD O00329 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 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
SCHEMBL28484182 0.90 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21518150 0.81 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL29641197 0.81 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21518153 0.81 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21590119 0.74 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL30451773 0.74 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL2449991 0.72 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL28484184 0.69 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL21518151 0.67 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL28343435 0.66 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADORA2A

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