SCHEMBL7484382

SCHEMBL7484382

Cc1ccnc(C(=O)c2[nH]c3cc(F)ccc3c2Cc2nnn[nH]2)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.68
PTGS1 P23219 7/20 0.68
CDK2 P24941 2/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
EGFR P00533 1/20 0.34
GSK3B P49841 1/20 0.33
CYP17A1 P05093 1/20 0.32

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
SCHEMBL7479173 0.93 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7484615 0.92 PTGS2 (0.56) PTGS2PTGS1EGFR
SCHEMBL7484772 0.89 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7481159 0.88 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7482305 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7486073 0.83 PTGS2 (0.58) PTGS2PTGS1EGFR
SCHEMBL6173082 0.81 PTGS2 (1.00) PTGS2PTGS1CDK2CCNB2CDK1
SCHEMBL7482841 0.81 PTGS2 (0.47) PTGS2PTGS1GSK3B
SCHEMBL27554755 0.79 PTGS2 (0.79) PTGS2PTGS1CDK2CCNB2CDK1
SCHEMBL7480098 0.78 PTGS2 (0.50) PTGS2PTGS1

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-1065206-B1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER (US) 2002-10-09 EP claimed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP claimed
EP-1065206-B1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER (US) 2002-10-09 EP disclosed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP disclosed