SCHEMBL22735888

SCHEMBL22735888

CNc1c(-c2cnn(C(=O)N3CCC(C#N)C3)c2)ccnc1NC=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.34
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31

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
SCHEMBL22735735 0.78 ATR (0.34) ROCK2ROCK1JAK2JAK1TYK2
SCHEMBL22736207 0.77 JAK1 (0.37) ROCK2ROCK1JAK2JAK1TYK2
SCHEMBL22735884 0.76 BTK (0.42) ROCK2ROCK1JAK2JAK1TYK2
SCHEMBL29480529 0.76 BTK (0.42) ROCK2ROCK1JAK2JAK1TYK2
SCHEMBL22735887 0.74 ALDH1A1 (0.34) ROCK2ROCK1
SCHEMBL22735724 0.71 JAK1 (0.36) JAK2JAK1
SCHEMBL22735893 0.71 JAK1 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL22736139 0.70 BTK (0.41) ROCK2ROCK1JAK2JAK1
SCHEMBL29480545 0.68 BTK (0.39) ROCK2JAK2JAK1JAK3
SCHEMBL29480508 0.66 BTK (0.41) JAK2JAK1

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
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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