SCHEMBL21590119

SCHEMBL21590119

CC(C)(OCP(Cl)Oc1ccccc1)n1cnc2c(N)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 10/20 0.48
PI4K2B Q8TCG2 10/20 0.48
PI4K2A Q9BTU6 10/20 0.48
PI4KB Q9UBF8 10/20 0.48
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.41
EGFR P00533 2/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
NSD3 Q9BZ95 1/20 0.39
PIK3CD O00329 1/20 0.37

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
SCHEMBL21518150 0.77 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21518153 0.77 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL29641197 0.77 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL28484182 0.76 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL30451824 0.74 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL28343435 0.70 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21518151 0.69 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL2449991 0.69 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5857609 0.68 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5021593 0.67 PI4KA (1.00) 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 4 patents. 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
EP-3808752-A1 PHOSPHONAMIDE ESTER COMPOUND, SALT THEREOF, RELATED CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-04-21 EP disclosed
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 disclosed
WO-2019237957-A1 PHOSPHONAMIDE ESTER COMPOUND, SALT THEREOF, RELATED CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-12-19 WO disclosed