SCHEMBL19216148

SCHEMBL19216148

N#CC1C[C@H](O)CC[C@@H]1n1nc(N)c2c(OCc3ccccc3)nccc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.40
JAK2 O60674 18/20 0.40
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
KCNH2 Q12809 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
SCHEMBL16126336 1.00 JAK1 (0.40) JAK1JAK2ATP4AATP4BTYK2
SCHEMBL16126343 1.00 JAK1 (0.40) JAK1JAK2ATP4AATP4BTYK2
SCHEMBL18093926 0.93 ATP4A (0.39) JAK1JAK2ATP4AATP4B
SCHEMBL18093872 0.93 ATP4A (0.39) JAK1JAK2ATP4AATP4B
SCHEMBL16101865 0.93 ATP4A (0.39) JAK1JAK2ATP4AATP4B
SCHEMBL16105046 0.88 JAK2 (0.42) JAK1JAK2ATP4AATP4B
SCHEMBL16126772 0.88 JAK2 (0.42) JAK1JAK2ATP4AATP4B
SCHEMBL18093725 0.88 JAK2 (0.42) JAK1JAK2ATP4AATP4B
SCHEMBL16126507 0.88 ATP4A (0.40) JAK1JAK2ATP4AATP4B
SCHEMBL16126510 0.88 ATP4A (0.40) JAK1JAK2ATP4AATP4B

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-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed