SCHEMBL5065503

SCHEMBL5065503

CC(C)[C@@H](C(=O)OCCOCn1cnc2c(N)ncnc21)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
ADORA2A P29274 3/20 0.45
ENPP1 P22413 2/20 0.45
NT5E P21589 1/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
ALDH1A1 P00352 1/20 0.42
AHCY P23526 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
HBB P68871 1/20 0.42
ADORA1 P30542 1/20 0.40
DOT1L Q8TEK3 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5065501 0.83 EGFR (0.46) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL4089586 0.83 EGFR (0.46) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL13723744 0.79 ENPP1 (0.57) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL13724155 0.78 MEN1 (0.65) EGFRADORA2AENPP1NT5EPI4KA
Hydrochloric Acid SCHEMBL4095590 0.76 MAPK1 (0.64) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL4094131 0.76 EGFR (0.64) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL13749328 0.75 ENPP1 (0.53) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL4094997 0.74 ADORA2A (0.61) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL9426463 0.74 ENPP1 (0.61) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL5134015 0.73 HPGD (0.45) MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001488-A2 PREVENTION AND TREATMENT OF CANCER AND OTHER DISEASES Alt Solutions, Inc. (US) 2008-12-17 EP disclosed
WO-2007106561-A2 PREVENTION AND TREATMENT OF CANCER AND OTHER DISEASES ALT SOLUTIONS, INC. (US) 2007-09-20 WO disclosed