SCHEMBL2362885

SCHEMBL2362885

CC(=O)N1CCCC(Nc2cccc(-c3cnn4ccc(C#N)cc34)n2)C1.N#Cc1ccn2ncc(-c3cccc(N[C@H]4CCCNC4)n3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.46
EGLN2 Q96KS0 1/20 0.45
FLT3 P36888 2/20 0.44
JAK2 O60674 11/20 0.43
JAK3 P52333 11/20 0.43
JAK1 P23458 10/20 0.43
CCNT1 O60563 2/20 0.40

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
SCHEMBL2348268 0.94 EGLN2 (0.49) EGLN2JAK2JAK3JAK1CCNT1
SCHEMBL2345601 0.88 IRAK4 (0.57) IRAK4FLT3CCNT1
SCHEMBL2345606 0.88 IRAK4 (0.57) IRAK4FLT3CCNT1
SCHEMBL15167072 0.88 JAK2 (0.51) EGLN2JAK2JAK3JAK1
SCHEMBL2346126 0.84 JAK1 (0.49) JAK2JAK3JAK1
SCHEMBL2346123 0.84 JAK1 (0.49) JAK2JAK3JAK1
SCHEMBL2345343 0.84 JAK3 (0.58) JAK2JAK3JAK1
SCHEMBL15167182 0.84 JAK3 (0.58) JAK2JAK3JAK1
SCHEMBL2234535 0.81 EGLN2 (0.51) EGLN2JAK2JAK3JAK1
SCHEMBL18759698 0.80 JAK3 (0.45) EGLN2JAK2JAK3JAK1

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-2011101161-A1 PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-08-25 WO disclosed