SCHEMBL20193191

SCHEMBL20193191

CN1CCC(n2cc(-c3cn(COCCS(C)(C)C)nc3Cl)c3cc(C#CC(C)(C)O)ncc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHUK O15111 16/20 0.57
MAP3K14 Q99558 4/20 0.44

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
SCHEMBL16608497 0.91 CHUK (0.58) CHUKMAP3K14
SCHEMBL20193187 0.87 CHUK (0.63) CHUKMAP3K14
SCHEMBL19629568 0.86 MAP3K14 (0.60) CHUKMAP3K14
SCHEMBL20193162 0.84 CHUK (0.57) CHUKMAP3K14
SCHEMBL19629493 0.80 MAP3K14 (0.52) CHUKMAP3K14
SCHEMBL20193160 0.80 CHUK (0.54) CHUKMAP3K14
SCHEMBL16608275 0.78 CHUK (0.72) CHUKMAP3K14
SCHEMBL19114373 0.78 CHUK (0.51) CHUKMAP3K14
SCHEMBL19114709 0.78 CHUK (0.63) CHUKMAP3K14
SCHEMBL18013741 0.77 CHUK (0.41) 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