SCHEMBL20193268

SCHEMBL20193268

Bc1nn(COCCS(C)(C)C)c(B)c1-c1cn(C2CCN(C)CC2)c2c(C)nc(Br)cc12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33

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
SCHEMBL19114705 0.82 TOP2A (0.32) TOP2ATOP2B
SCHEMBL19114567 0.70 TOP2A (0.37) TOP2ATOP2B
SCHEMBL20191342 0.70 DGAT1 (0.34) TOP2ATOP2B
SCHEMBL20193224 0.69 CHUK (0.30)
SCHEMBL18013735 0.68 TOP2A (0.31) TOP2ATOP2B
SCHEMBL16608484 0.68 TOP2A (0.36) TOP2ATOP2B
SCHEMBL20193169 0.66
SCHEMBL20193216 0.66 CHUK (0.40)
SCHEMBL19114707 0.63 CHUK (0.30)
SCHEMBL19629572 0.62 MAP3K14 (0.38)

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