SCHEMBL22736139

SCHEMBL22736139

N#CC1CCN(C(=O)n2cc(-c3ccnc4[nH]c(=O)[nH]c34)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.41
▸ BRD4 O60885 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ JAK1 P23458 5/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ PDE9A O76083 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ JAK2 O60674 4/20 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
SCHEMBL29480529 0.94 BTK (0.42) BTKBRD4SYKJAK1ROCK2
SCHEMBL22735884 0.94 BTK (0.42) BTKBRD4SYKJAK1ROCK2
SCHEMBL29480545 0.90 BTK (0.39) BTKBRD4JAK1ROCK2JAK2
SCHEMBL22735988 0.85 BTK (0.42) BTKBRD4JAK1JAK2
SCHEMBL29480557 0.85 BTK (0.42) BTKBRD4JAK1JAK2
SCHEMBL22736128 0.83 BTK (0.41) BTKBRD4JAK1JAK2
SCHEMBL29567233 0.83 BTK (0.41) BTKBRD4JAK1JAK2
SCHEMBL29480508 0.83 BTK (0.41) BTKBRD4JAK1SPRJAK2
SCHEMBL22735989 0.82 BRD4 (0.37) BTKBRD4JAK1JAK2
SCHEMBL22735724 0.82 JAK1 (0.36) JAK1JAK2

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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