SCHEMBL7436724

SCHEMBL7436724

FC(F)(F)c1nc(Cl)c2cc(I)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.41
CCNE2 O96020 10/20 0.41
CCNE1 P24864 10/20 0.41
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK4 P11802 6/20 0.38
CCND1 P24385 6/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NT5E P21589 1/20 0.37
RAB9A P51151 1/20 0.36
TLR7 Q9NYK1 3/20 0.35
ADORA2A P29274 1/20 0.35
LMNA P02545 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
SCHEMBL7438098 0.85 CDK9 (0.36) CDK2CCNE2CCNE1CCNA2CCNA1
SCHEMBL4188683 0.83 APP (0.34) CDK2CCNE2CCNE1CCNA2CCNA1
SCHEMBL4422780 0.83 CCNE2 (0.49) CDK2CCNE2CCNE1CCNA2CCNA1
SCHEMBL30297757 0.83 CCNE2 (0.49) CDK2CCNE2CCNE1CCNA2CCNA1
SCHEMBL9998118 0.81 CDK2 (0.57) CDK2CCNE2CCNE1CCNA2CCNA1
SCHEMBL30540343 0.81 CDK2 (0.57) CDK2CCNE2CCNE1CCNA2CCNA1
SCHEMBL27138975 0.80 LMNA (0.49) CDK2CCNE2CCNE1CCNA2CCNA1
SCHEMBL1069650 0.77 HTT (0.41) ALDH1A1MAPTLMNA
SCHEMBL4069704 0.77 PARP1 (0.37) LMNA
SCHEMBL6372133 0.76 CCNE2 (0.39) CDK2CCNE2CCNE1CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799221-B1 QUINAZOLINES AS INHIBITORS OF ENDOTHELIN CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-30 EP disclosed
US-5773444-A Quinazolines as inhibitors of endothelin converting enzyme WARNER-LAMBERT COMPANY (US) 1998-06-30 US disclosed
EP-0799221-A1 QUINAZOLINES AS INHIBITORS OF ENDOTHELIN CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1997-10-08 EP disclosed
US-5658902-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1997-08-19 US disclosed
WO-1996019474-A1 QUINAZOLINES AS INHIBITORS OF ENDOTHELIN CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed