SCHEMBL6678396

SCHEMBL6678396

NC(N)(Br)c1cnc2ncncc2n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.33
▸ EGFR P00533 3/20 0.31

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
Bromide SCHEMBL9547742 0.98 PIK3CG (0.33) PIK3CGEGFR
SCHEMBL25101246 0.79 PIK3CG (0.34) PIK3CGEGFR
SCHEMBL29564212 0.72 MAPK1 (0.38) PIK3CGEGFR
SCHEMBL2007583 0.72 EGFR (0.38) PIK3CGEGFR
SCHEMBL3292267 0.70 PIK3CG (0.47) PIK3CGEGFR
SCHEMBL26828875 0.69 — —
SCHEMBL2007582 0.68 PIK3CG (0.37) PIK3CGEGFR
SCHEMBL31621377 0.68 PIK3CG (0.44) PIK3CGEGFR
SCHEMBL315448 0.68 PIK3CG (0.37) PIK3CGEGFR
SCHEMBL3862427 0.68 ALDH1A1 (0.41) PIK3CGEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004042345-A2 BACTERIAL SMALL-MOLECULE THREE-HYBRID SYSTEM THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2004-05-21 — — WO disclosed
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