SCHEMBL8313306

SCHEMBL8313306

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.47
▸ JAK3 P52333 8/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ IKBKB O14920 3/20 0.46
▸ CHUK O15111 3/20 0.46
▸ IKBKG Q9Y6K9 2/20 0.46
▸ ABL1 P00519 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ HDAC1 Q13547 3/20 0.44
▸ CAMK2D Q13557 3/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ DYRK2 Q92630 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ NCOR1 O75376 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ BMPR1B O00238 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
SCHEMBL14063777 0.91 JAK2 (0.49) JAK2JAK3CDK2CDK1IKBKB
SCHEMBL8313908 0.88 JAK2 (0.48) JAK2JAK3CDK2CDK1IKBKB
SCHEMBL13911604 0.88 JAK2 (0.59) JAK2JAK3CDK2CDK1IKBKB
SCHEMBL8313329 0.86 SYK (0.53) JAK2JAK3CDK2CDK1IKBKB
SCHEMBL13590765 0.81 JAK2 (0.51) JAK2JAK3CDK2CDK1IKBKB
SCHEMBL4392408 0.80 PIK3CA (0.51) JAK2JAK3CDK2CDK1IKBKB
SCHEMBL14021327 0.79 JAK2 (0.49) JAK2JAK3CDK2CDK1IKBKB
SCHEMBL4806626 0.79 JAK2 (0.49) JAK2JAK3CDK2CDK1IKBKB
SCHEMBL8311756 0.79 IKBKB (0.56) JAK2JAK3IKBKBCHUKIKBKG
SCHEMBL14063782 0.79 JAK2 (0.52) JAK2JAK3CDK2CDK1IKBKB

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-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 — — WO disclosed
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