SCHEMBL14327604

SCHEMBL14327604

Clc1cnc2[nH]cc(C3=NCCC(N4CCSC4)=N3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.40
▸ MAPK1 P28482 2/20 0.35
▸ TNIK Q9UKE5 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ CDC42BPB Q9Y5S2 1/20 0.31
▸ KIT P10721 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
SCHEMBL14327615 0.77 JAK2 (0.40) JAK2TNIKROCK2ROCK1CDC42BPB
SCHEMBL14712261 0.77 JAK2 (0.40) JAK2TNIKROCK2ROCK1CDC42BPB
SCHEMBL14327601 0.76 JAK2 (0.49) JAK2KIT
SCHEMBL14327598 0.69 JAK2 (0.38) JAK2MAPK1
SCHEMBL14327540 0.69 CCNK (0.34) —
SCHEMBL14712346 0.68 JAK2 (0.41) JAK2TNIKROCK2KIT
SCHEMBL17425350 0.67 JAK3 (0.34) JAK2
SCHEMBL14712318 0.62 CDC7 (0.51) JAK2MAPK1LRRK2ROCK2ROCK1
SCHEMBL14327539 0.62 BTK (0.37) JAK2
SCHEMBL14712260 0.62 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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