SCHEMBL16205666

SCHEMBL16205666

CCCCC(=O)NCCCn1cc(-c2ccnc(N)n2)c2cc(C#CC(C)(C)O)ncc21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 4/20 0.51
CHUK O15111 13/20 0.45
MAP3K14 Q99558 3/20 0.43

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
SCHEMBL18828008 0.88 TTBK1 (0.55) TTBK1CHUKMAP3K14
SCHEMBL16205580 0.85 TTBK1 (0.56) TTBK1CHUKMAP3K14
SCHEMBL16205474 0.82 TTBK1 (0.63) TTBK1CHUK
SCHEMBL16205669 0.81 TTBK1 (0.62) TTBK1CHUKMAP3K14
SCHEMBL16205478 0.80 TTBK1 (0.62) TTBK1CHUK
SCHEMBL16205643 0.80 TTBK1 (0.60) TTBK1CHUKMAP3K14
SCHEMBL16205469 0.80 CHUK (0.64) TTBK1CHUKMAP3K14
SCHEMBL16205522 0.79 TTBK1 (0.53) TTBK1CHUKMAP3K14
SCHEMBL16205473 0.77 TTBK1 (0.56) TTBK1CHUK
SCHEMBL16205435 0.76 TTBK1 (0.54) TTBK1CHUKMAP3K14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643964-B2 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-05-09 US disclosed
WO-2014174021-A1 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-10-30 WO disclosed