SCHEMBL14063777

SCHEMBL14063777

CN(C)C(=O)CN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.49
▸ JAK3 P52333 6/20 0.49
▸ PIK3CA P42336 2/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ CDK1 P06493 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ IKBKB O14920 4/20 0.47
▸ CHUK O15111 3/20 0.47
▸ MAPKAPK2 P49137 1/20 0.46
▸ IKBKG Q9Y6K9 2/20 0.46
▸ AIMP2 Q13155 1/20 0.45
▸ F10 P00742 1/20 0.45
▸ CAMK2D Q13557 1/20 0.44
▸ DYRK2 Q92630 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ NCOR1 O75376 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL8313306 0.91 JAK2 (0.47) JAK2JAK3CDK1CDK2IKBKB
SCHEMBL13590765 0.90 JAK2 (0.51) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL4392408 0.89 PIK3CA (0.51) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL14021327 0.88 JAK2 (0.49) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL14063782 0.88 JAK2 (0.52) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL8311018 0.88 JAK2 (0.61) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL4806626 0.88 JAK2 (0.49) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL14021306 0.88 SYK (0.54) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL14021629 0.87 JAK2 (0.54) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL4063691 0.87 JAK2 (0.52) JAK2JAK3PIK3CAPIK3CBPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
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