SCHEMBL20193154

SCHEMBL20193154

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

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.37
LRRK2 Q5S007 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
SCHEMBL20193151 0.90 CHUK (0.34) CHUK
SCHEMBL20193152 0.88 CHUK (0.39) CHUK
SCHEMBL16608604 0.88 CHUK (0.37) CHUK
SCHEMBL19114543 0.86 CHUK (0.35) CHUKLRRK2
SCHEMBL20193179 0.85 CREBBP (0.32) CHUKLRRK2
SCHEMBL19114436 0.84 CHUK (0.38) CHUK
SCHEMBL20193242 0.83 CHUK (0.36) CHUK
SCHEMBL20193155 0.83 CHUK (0.38) CHUK
SCHEMBL20193217 0.83 DYRK1A (0.40) CHUK
SCHEMBL20193238 0.82 CHUK (0.61) 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