SCHEMBL9025445

SCHEMBL9025445

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.37
AGTR1 P30556 7/20 0.37
AGTR2 P50052 7/20 0.37
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
GPR39 O43194 1/20 0.35
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 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
SCHEMBL9024194 1.00 PTGS2 (0.37) PTGS2AGTR1AGTR2USP1WDR48
SCHEMBL9024187 0.99 PTGS2 (0.37) PTGS2AGTR1AGTR2USP1WDR48
SCHEMBL9024201 0.92 PTGS2 (0.45) PTGS2AGTR1AGTR2
Water SCHEMBL9024199 0.91 PTGS2 (0.44) PTGS2AGTR1AGTR2
SCHEMBL9025788 0.86 PTGS2 (0.34) PTGS2AGTR1AGTR2
SCHEMBL9024382 0.86 PTGS2 (0.34) PTGS2AGTR1AGTR2
SCHEMBL9025777 0.85 PTGS2 (0.33) PTGS2AGTR1AGTR2
Water SCHEMBL9434379 0.85 PTGS2 (0.33) PTGS2AGTR1AGTR2
SCHEMBL9023830 0.82 AGTR1 (0.46) AGTR1AGTR2USP1WDR48
Water SCHEMBL9374103 0.82 PTGS2 (0.41) PTGS2

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