SCHEMBL20193161

SCHEMBL20193161

CC(C)(O)Cn1cc(-c2cnn(COCCS(C)(C)C)c2)c2cc(Br)ncc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 13/20 0.42
FFAR1 O14842 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
MTOR P42345 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
INSR P06213 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 1/20 0.32
RET P07949 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
SCHEMBL20193180 0.92 CHUK (0.43) CHUKFFAR1ALOX5APFEN1PIK3CD
SCHEMBL20193244 0.92 PIK3CD (0.33) CHUKFFAR1ALOX5APFEN1PIK3CD
SCHEMBL16608607 0.88 CHUK (0.42) CHUKFFAR1ALOX5APFEN1MAP4K4
SCHEMBL20193155 0.88 CHUK (0.38) CHUKFEN1MAP4K4ABL1NTRK1
SCHEMBL19114543 0.88 CHUK (0.35) CHUKLRRK2
SCHEMBL19629510 0.87 CHUK (0.36) CHUKFFAR1ALOX5APFEN1PIK3CD
SCHEMBL20193236 0.86 CHUK (0.61) CHUK
SCHEMBL20193217 0.86 DYRK1A (0.40) CHUKFEN1PIK3CDPIK3CGBTK
SCHEMBL19114436 0.85 CHUK (0.38) CHUKTTKPIM1
SCHEMBL20193179 0.84 CREBBP (0.32) CHUKFEN1AURKAABL1NTRK1

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