SCHEMBL20193151

SCHEMBL20193151

CC(C)n1cc(-c2cnn(COCCS(C)(C)C)c2)c2cc(Br)ncc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.34
NFATC1 O95644 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAP3K5 Q99683 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL20193154 0.90 CHUK (0.37) CHUK
SCHEMBL20193152 0.90 CHUK (0.39) CHUK
SCHEMBL19114436 0.87 CHUK (0.38) CHUKDYRK1ASCN5ASCN9A
SCHEMBL16608646 0.87 DGAT1 (0.36) CHUKNFATC1GSK3BDYRK1AMAP3K5
SCHEMBL20193179 0.87 CREBBP (0.32) CHUKGSK3BSCN5ASCN9A
SCHEMBL19629559 0.86 PDE4B (0.41) NFATC1GSK3BDYRK1AMAP3K5SCN5A
SCHEMBL19114590 0.86 CHUK (0.34) CHUKNFATC1GSK3BDYRK1AMAP3K5
SCHEMBL19114543 0.86 CHUK (0.35) CHUK
SCHEMBL20193242 0.85 CHUK (0.36) CHUK
SCHEMBL20193155 0.84 CHUK (0.38) CHUKNFATC1GSK3BDYRK1A

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