SCHEMBL7443188

SCHEMBL7443188

CC(=O)c1c(C)nc(C)nc1NCc1ccc(-c2ccccc2-c2nnnn2C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
RAD52 P43351 1/20 0.41
ATM Q13315 1/20 0.41
AGTR1 P30556 12/20 0.41
AGTR2 P50052 12/20 0.41
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9591953 0.72 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL7434010 0.72 TSHR (0.51) TSHRUSP2ALDH1A1ALOX15MAPK1
SCHEMBL9589454 0.71 AGTR1 (0.64) TSHRALDH1A1ALOX15MAPK1LMNA
SCHEMBL7670834 0.70 AGTR1 (0.39) TSHRALDH1A1LMNAAGTR1AGTR2
SCHEMBL9589075 0.70 AGTR1 (0.60) AGTR1AGTR2USP1WDR48
SCHEMBL7436221 0.69 AGTR1 (0.67) LMNAAGTR1AGTR2
SCHEMBL7020979 0.69 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL7647188 0.68 POLB (0.41) TSHRALDH1A1MAPK1AGTR1AGTR2
SCHEMBL9590412 0.67 AGTR1 (0.66) TSHRALDH1A1ALOX15MAPK1LMNA
SCHEMBL9591999 0.66 AGTR1 (0.67) TSHRALDH1A1ALOX15MAPK1LMNA

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
EP-0618207-B1 Substituted pyridopyrimidines as antihypertensives AMERICAN HOME PROD (US) 1999-01-07 EP disclosed
EP-0863143-A1 Intermediates useful in the production of pyridopyrimidone angiotensin AII antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-09 EP disclosed
US-5466692-A Substituted pyridopyrimidines and antihypertensives AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-14 US disclosed
EP-0618207-A1 Substituted pyridopyrimidines as antihypertensives AMERICAN HOME PRODUCTS CORPORATION (US) 1994-10-05 EP disclosed