SCHEMBL14712346

SCHEMBL14712346

CCCCNC1=NC(c2c[nH]c3ncc(Cl)cc23)=NCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ MAP4K4 O95819 2/20 0.36
▸ HIPK2 Q9H2X6 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.35
▸ BRAF P15056 3/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ TNIK Q9UKE5 2/20 0.33
▸ BMPR1B O00238 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
SCHEMBL14327601 0.76 JAK2 (0.49) JAK2CDK2CYP3A4CYP2D6KIT
SCHEMBL14712260 0.74 JAK2 (0.35) JAK2BRAFFLT3TYRO3MERTK
SCHEMBL14327539 0.71 BTK (0.37) JAK2IRAK4
SCHEMBL14327614 0.70 CLK4 (0.46) JAK2MAP4K4HIPK2CDC7ROCK2
SCHEMBL14327540 0.70 CCNK (0.34) CDK2
SCHEMBL14712261 0.69 JAK2 (0.40) JAK2ROCK2TNIK
SCHEMBL14327615 0.69 JAK2 (0.40) JAK2ROCK2TNIK
SCHEMBL14327604 0.68 JAK2 (0.40) JAK2ROCK2TNIKKIT
SCHEMBL1891225 0.66 CYP2C9 (0.62) JAK2UTS2RCYP1A2CYP3A4CYP2D6
SCHEMBL14327581 0.65 JAK2 (0.35) JAK2MAP4K4HIPK2BRAFFLT3

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-2559694-A2 Azaindoles useful as inhibitors of Janus kinases Vertex Pharmaceuticals, Inc. (US) 2013-02-20 — — EP disclosed
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