SCHEMBL14327615

SCHEMBL14327615

C[C@@H]1CCCN1C1=NC(c2c[nH]c3ncc(Cl)cc23)=NCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 2/20 0.36
▸ TNIK Q9UKE5 1/20 0.35
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ CDC42BPA Q5VT25 2/20 0.33
▸ CDC42BPB Q9Y5S2 2/20 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
SCHEMBL14712261 1.00 JAK2 (0.40) JAK2JAK3TNIKROCK2ROCK1
SCHEMBL14327540 0.81 CCNK (0.34) —
SCHEMBL14327604 0.77 JAK2 (0.40) JAK2TNIKROCK2ROCK1CDC42BPB
SCHEMBL14327601 0.75 JAK2 (0.49) JAK2
SCHEMBL17425350 0.70 JAK3 (0.34) JAK2JAK3
SCHEMBL14712346 0.69 JAK2 (0.41) JAK2TNIKROCK2
SCHEMBL14327539 0.66 BTK (0.37) JAK2
SCHEMBL14327576 0.63 JAK2 (0.39) JAK2
SCHEMBL10304562 0.63 LATS1 (0.41) JAK2JAK3CDC42BPA
SCHEMBL14712260 0.63 JAK2 (0.35) JAK2

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
EP-2537849-A2 Azaindoles useful as inhibitors of janus kinases Vertex Pharmaceuticals, Inc. (US) 2012-12-26 — — EP disclosed
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