SCHEMBL20193180

SCHEMBL20193180

CC(C)(O)CCn1cc(-c2cnn(COCCS(C)(C)C)c2)c2cc(Br)ncc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHUK O15111 8/20 0.43
PIK3CD O00329 3/20 0.33
PIK3CB P42338 3/20 0.33
PIK3CG P48736 3/20 0.33
MTOR P42345 1/20 0.33
FFAR1 O14842 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KCNJ5 P48544 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) CHUKPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL20193155 0.89 CHUK (0.38) CHUKFEN1
SCHEMBL16608618 0.88 CHUK (0.44) CHUKPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL20193217 0.87 DYRK1A (0.40) CHUKPIK3CDPIK3CGFEN1
SCHEMBL19114543 0.87 CHUK (0.35) CHUK
SCHEMBL20193179 0.86 CREBBP (0.32) CHUKFEN1
SCHEMBL20193185 0.85 CHUK (0.63) CHUK
SCHEMBL20193214 0.85 CHUK (0.41) CHUKFEN1
SCHEMBL20193244 0.85 PIK3CD (0.33) CHUKPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL19114436 0.84 CHUK (0.38) 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