SCHEMBL13014149

SCHEMBL13014149

C=NCCN(N)Cc1cc2c(Br)ccnc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.33
▸ CCNK O75909 1/20 0.32
▸ CDK12 Q9NYV4 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
SCHEMBL14279274 0.75 PRKCI (0.33) PRKCICCNKCDK12
SCHEMBL3414426 0.74 CHUK (0.43) PRKCICCNKCDK12
SCHEMBL32671221 0.70 PRKCI (0.44) PRKCICCNKCDK12
SCHEMBL2239319 0.67 CHUK (0.51) PRKCICCNKCDK12
SCHEMBL20839750 0.66 CCNK (0.57) PRKCICCNKCDK12
SCHEMBL3416746 0.65 PRKCI (0.40) PRKCICCNKCDK12
SCHEMBL31634054 0.64 PRKCI (0.48) PRKCI
SCHEMBL4319429 0.64 PRKCI (0.48) PRKCI
SCHEMBL13505099 0.64 PRKCI (0.39) PRKCICCNKCDK12
SCHEMBL3418231 0.64 PRKCI (0.40) PRKCICCNKCDK12

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
EP-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 — — EP disclosed
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