SCHEMBL16205703

SCHEMBL16205703

CC(C)(O)C#Cc1cc2c(-c3ccnc(N)n3)cn(C3CNC3)c2cn1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 12/20 0.58
CHUK O15111 5/20 0.51
MAP3K14 Q99558 3/20 0.49
PIKFYVE Q9Y2I7 2/20 0.46

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
SCHEMBL16205457 0.89 CHUK (0.63) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205645 0.89 TTBK1 (0.58) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205426 0.88 CHUK (0.64) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205449 0.87 TTBK1 (0.55) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205428 0.85 TTBK1 (0.54) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205427 0.85 TTBK1 (0.54) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205707 0.83 TTBK1 (0.51) TTBK1CHUKMAP3K14PIKFYVE
SCHEMBL16205479 0.83 TTBK1 (0.68) TTBK1CHUKPIKFYVE
SCHEMBL16205478 0.81 TTBK1 (0.62) TTBK1CHUKPIKFYVE
SCHEMBL16205486 0.81 TTBK1 (0.62) TTBK1CHUKPIKFYVE

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