SCHEMBL20193246

SCHEMBL20193246

CC(C)(O)Cn1cc(-c2cn(COCCS(C)(C)C)nc2C#N)c2cc(Br)ncc21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHUK O15111 11/20 0.43
AR P10275 2/20 0.32
XDH P47989 1/20 0.31
MAP3K14 Q99558 1/20 0.30

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
SCHEMBL16608611 0.89 CHUK (0.42) CHUKARXDHMAP3K14
SCHEMBL20193164 0.89 CHUK (0.37) CHUKAR
SCHEMBL20193239 0.88 CHUK (0.60) CHUKMAP3K14
SCHEMBL20193161 0.81 CHUK (0.42) CHUK
SCHEMBL20193280 0.81 CHUK (0.60) CHUKMAP3K14
SCHEMBL16608610 0.77 DGAT1 (0.37) CHUKAR
SCHEMBL16608662 0.77 CHUK (0.59) CHUKMAP3K14
SCHEMBL19114479 0.76 CHUK (0.58) CHUKMAP3K14
SCHEMBL20193234 0.76 CHUK (0.35) CHUK
SCHEMBL20193220 0.75 CHUK (0.32) CHUK

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