SCHEMBL9024201

SCHEMBL9024201

Cc1nc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)cc(C(F)(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.45
AGTR1 P30556 4/20 0.39
AGTR2 P50052 4/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FABP4 P15090 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ADORA2A P29274 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
Water SCHEMBL9024199 0.99 PTGS2 (0.44) PTGS2AGTR1AGTR2KDM4EMEN1
SCHEMBL9025445 0.92 PTGS2 (0.37) PTGS2AGTR1AGTR2
SCHEMBL9024194 0.92 PTGS2 (0.37) PTGS2AGTR1AGTR2
SCHEMBL9024187 0.92 PTGS2 (0.37) PTGS2AGTR1AGTR2
Water SCHEMBL9374103 0.90 PTGS2 (0.41) PTGS2KDM4EFABP4TP53MAPT
SCHEMBL9023830 0.84 AGTR1 (0.46) AGTR1AGTR2MAPT
SCHEMBL9024858 0.82 AGTR1 (0.46) PTGS2AGTR1AGTR2
SCHEMBL9024107 0.82 PTGS2 (0.46) PTGS2AGTR1AGTR2
SCHEMBL9433660 0.81 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9024606 0.81 AGTR1 (0.47) PTGS2AGTR1AGTR2

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-0611368-B1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1996-02-07 EP claimed
EP-0611368-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS. AMERICAN HOME PROD (US) 1994-08-24 EP claimed
US-5336677-A ANTAGONIST OF ANGIOTENSIN II AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-09 US claimed
WO-1993008169-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO claimed