SCHEMBL20193244

SCHEMBL20193244

CS(C)(C)CCOCn1cc(-c2cn(CC(F)(F)F)c3cnc(Br)cc23)cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.33
PIK3CB P42338 4/20 0.33
PIK3CG P48736 4/20 0.33
CHUK O15111 6/20 0.33
MTOR P42345 3/20 0.32
DGAT1 O75907 1/20 0.31
FFAR1 O14842 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL20193161 0.92 CHUK (0.42) PIK3CDPIK3CBPIK3CGCHUKMTOR
SCHEMBL19114543 0.90 CHUK (0.35) CHUK
SCHEMBL16608601 0.88 DGAT1 (0.43) PIK3CDPIK3CBPIK3CGCHUKDGAT1
SCHEMBL20193155 0.87 CHUK (0.38) CHUKFEN1
SCHEMBL20193217 0.87 DYRK1A (0.40) PIK3CDPIK3CGCHUKFEN1
SCHEMBL19114436 0.86 CHUK (0.38) CHUK
SCHEMBL20193179 0.85 CREBBP (0.32) CHUKFEN1
SCHEMBL20193180 0.85 CHUK (0.43) PIK3CDPIK3CBPIK3CGCHUKMTOR
SCHEMBL20193214 0.85 CHUK (0.41) CHUKFEN1
SCHEMBL20193228 0.84 MTOR (0.33) PIK3CDPIK3CBPIK3CGCHUKMTOR

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