SCHEMBL30701752

SCHEMBL30701752

Cc1nccc(-c2c[nH]c(=O)[nH]c2=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.50
DYRK1B Q9Y463 2/20 0.50
DYRK1A Q13627 2/20 0.50
ALDH1A1 P00352 4/20 0.44
ATAD2 Q6PL18 1/20 0.42
NT5E P21589 4/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
CCNT1 O60563 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK9 P50750 2/20 0.36
CCNA1 P78396 2/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
ROCK1 Q13464 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
DPYD Q12882 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 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
SCHEMBL3559799 0.76 ALDH1A1 (0.49) ALDH1A1ATAD2NT5ELMNA
Hydrochloric Acid SCHEMBL3558331 0.75 ALDH1A1 (0.47) ALDH1A1ATAD2NT5ELMNA
SCHEMBL8675092 0.72 ALDH1A1 (0.56) ALDH1A1NT5ELMNAKDM4EPOLB
SCHEMBL1555373 0.71 ALDH1A1 (0.50) CDK2ALDH1A1ATAD2NT5ELMNA
SCHEMBL10107868 0.70 KDM4E (0.49) ALDH1A1ATAD2NT5ELMNAKDM4E
SCHEMBL13314195 0.70 ALDH1A1 (0.49) ALDH1A1ATAD2NT5ELMNADPYD
SCHEMBL6111238 0.69 ALDH1A1 (0.43) ALDH1A1ATAD2NT5ELMNADPYD
SCHEMBL13314288 0.69 ALDH1A1 (0.43) ALDH1A1ATAD2NT5ELMNAROCK1
Hydrochloric Acid SCHEMBL2745406 0.69 KDM4E (0.48) ALDH1A1ATAD2NT5ELMNAKDM4E
Hydrochloric Acid SCHEMBL3558338 0.69 ALDH1A1 (0.47) ALDH1A1ATAD2NT5ELMNADPYD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547657-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-05-07 EP disclosed
CN-119384415-A CD73 compounds 吉利德科学公司 2025-01-28 CN disclosed
WO-2024006929-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-01-04 WO disclosed