SCHEMBL20193187

SCHEMBL20193187

CN1CCC(n2cc(-c3cnn(COCCS(C)(C)C)c3)c3cc(C#CC(C)(C)O)ncc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHUK O15111 17/20 0.63
MAP3K14 Q99558 3/20 0.41

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
SCHEMBL20193160 0.93 CHUK (0.54) CHUKMAP3K14
SCHEMBL19114373 0.91 CHUK (0.51) CHUKMAP3K14
SCHEMBL20193166 0.90 CHUK (0.50) CHUKMAP3K14
SCHEMBL16608406 0.90 CHUK (0.64) CHUKMAP3K14
SCHEMBL19114709 0.90 CHUK (0.63) CHUKMAP3K14
SCHEMBL20193191 0.87 CHUK (0.57) CHUKMAP3K14
SCHEMBL20193167 0.86 CHUK (0.57) CHUK
SCHEMBL20193159 0.85 CHUK (0.49) CHUKMAP3K14
SCHEMBL20193231 0.84 CHUK (0.63) CHUKMAP3K14
SCHEMBL20193237 0.84 CHUK (0.65) CHUKMAP3K14

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
US-9981963-B2 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed