SCHEMBL20169737

SCHEMBL20169737

CNc1ncc(Br)nc1N[C@H]1CC[C@H](OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 0.41
MAPK9 P45984 6/20 0.40
GBA1 P04062 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
CD38 P28907 1/20 0.35

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
SCHEMBL15003293 0.85 MAPK8 (0.39) MAPK8MAPK9GBA1JAK1TYK2
SCHEMBL2210310 0.84 MAPK8 (0.44) MAPK8MAPK9GBA1JAK1TYK2
SCHEMBL2210308 0.84 MAPK8 (0.44) MAPK8MAPK9GBA1JAK1TYK2
SCHEMBL18674150 0.82 MAPK8 (0.39) MAPK8MAPK9GBA1JAK1TYK2
SCHEMBL15001243 0.82 MAPK8 (0.39) MAPK8MAPK9GBA1JAK1TYK2
SCHEMBL15001193 0.82 MAPK8 (0.39) MAPK8MAPK9GBA1IRAK4
SCHEMBL19484934 0.81 MAPK8 (0.43) MAPK8MAPK9GBA1JAK1TYK2
SCHEMBL16272822 0.81 MAPK8 (0.43) MAPK8MAPK9GBA1JAK1TYK2
SCHEMBL20382767 0.80 MAPK8 (0.40) MAPK8MAPK9GBA1IRAK4
SCHEMBL153313 0.78 MAPK8 (0.41) MAPK8MAPK9

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-9974786-B2 Pharmaceutical compositions of 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino[2,3- B]pyrazin-2(1H)-one, a solid form there of and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2018-05-22 US disclosed