SCHEMBL14279265

SCHEMBL14279265

Bc1ccnc2[nH]c(CC(N)=O)cc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 3/20 0.51
▸ IKBKB O14920 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ SIRT1 Q96EB6 1/20 0.41
▸ CCNK O75909 7/20 0.39
▸ CDK12 Q9NYV4 7/20 0.39
▸ NUDT1 P36639 3/20 0.39
▸ PRKCI P41743 1/20 0.34
▸ INSR P06213 2/20 0.33
▸ MAPK8 P45983 2/20 0.33
▸ CAMKK2 Q96RR4 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ EGFR P00533 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
SCHEMBL2239319 0.82 CHUK (0.51) CHUKIKBKBROCK1SIRT1CCNK
SCHEMBL13012932 0.79 ECE2 (0.43) CCNKCDK12KDM4EALDH1A1
SCHEMBL1841180 0.76 CHUK (0.59) CHUKIKBKBROCK1CCNKCDK12
SCHEMBL29588892 0.73 RIPK1 (0.52) SIRT1
SCHEMBL15646003 0.70 CHUK (0.41) CHUKIKBKBROCK1CCNKCDK12
SCHEMBL13505067 0.70 IKBKB (0.85) CHUKIKBKBROCK1CCNKCDK12
SCHEMBL3416746 0.69 PRKCI (0.40) CHUKIKBKBROCK1CCNKCDK12
SCHEMBL3417659 0.69 IKBKB (1.00) CHUKIKBKBROCK1CCNKCDK12
SCHEMBL13505099 0.68 PRKCI (0.39) CHUKIKBKBROCK1CCNKCDK12
SCHEMBL3417614 0.66 PRKCI (0.37) CHUKIKBKBROCK1CCNKCDK12

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-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 — — WO disclosed
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