SCHEMBL8313908

SCHEMBL8313908

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.48
▸ HDAC1 Q13547 3/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ JAK3 P52333 7/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ BCR P11274 1/20 0.46
▸ CAMK2D Q13557 3/20 0.45
▸ IKBKB O14920 2/20 0.45
▸ CHUK O15111 2/20 0.45
▸ IKBKG Q9Y6K9 1/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ TYK2 P29597 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ NCOR1 O75376 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ DYRK2 Q92630 1/20 0.45
▸ MAPK8 P45983 2/20 0.45

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
SCHEMBL14021327 0.91 JAK2 (0.49) JAK2HDAC1HDAC6JAK3CDK2
SCHEMBL13911604 0.89 JAK2 (0.59) JAK2HDAC1HDAC6JAK3CDK2
SCHEMBL8313306 0.88 JAK2 (0.47) JAK2HDAC1HDAC6JAK3CDK2
SCHEMBL8313329 0.87 SYK (0.53) JAK2HDAC1HDAC6JAK3CDK2
SCHEMBL14021585 0.83 CDK1 (0.53) JAK2HDAC1HDAC6JAK3CDK2
SCHEMBL4063691 0.82 JAK2 (0.52) JAK2HDAC1HDAC6JAK3CDK2
SCHEMBL13590765 0.81 JAK2 (0.51) JAK2HDAC1HDAC6JAK3CDK2
SCHEMBL14021233 0.81 CDK1 (0.49) JAK2HDAC1HDAC6JAK3CDK2
SCHEMBL14063778 0.81 JAK2 (0.51) JAK2HDAC1HDAC6JAK3CDK2
SCHEMBL4392408 0.80 PIK3CA (0.51) JAK2HDAC1HDAC6JAK3CDK2

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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