SCHEMBL7100549

SCHEMBL7100549

c1coc(-c2ccc3[nH]nnc3n2)n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HPGDS O60760 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL30369056 0.72 PIK3CD (0.36) CCNCCDK8HPGDSLTA4H
SCHEMBL7100097 0.71 CHRM1 (0.30)
SCHEMBL5799482 0.70 HPGDS (0.40) HPGDSLTA4H
SCHEMBL27763441 0.69 ALDH1A1 (0.42) CCNCCDK8HPGDSLTA4H
SCHEMBL315001 0.68 HPGDS (0.44) CCNCCDK8HPGDSLTA4H
SCHEMBL912864 0.65 LTA4H (0.37) HPGDSLTA4H
SCHEMBL27176347 0.65 HPGDS (0.38) CCNCCDK8HPGDSLTA4H
SCHEMBL30066176 0.65 HPGDS (0.38) CCNCCDK8HPGDSLTA4H
SCHEMBL28714481 0.65 HPGDS (0.39) CCNCCDK8HPGDSLTA4H
SCHEMBL20571906 0.64 CCNC (0.33) CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370559-A1 TRIAZOLOPYRIDINES AS ANTI-INFLAMMATORY AGENTS Pfizer Products Inc. (US) 2003-12-17 EP disclosed
WO-2002072579-A1 TRIAZOLOPYRIDINES AS ANTI-INFLAMMATORY AGENTS PFIZER PRODUCTS INC. (US) 2002-09-19 WO disclosed